table s1 1 11 1 2 3 4 5 6 7 8 9 10 11 ln (1) ln(1) · ln(2)–o(4)(2) 2.402(4) 2.392(4) 2.396(4)...

- 1 -

Table S1 Selected bond lengths (Aring) for complexes 1ndash11

1 2 3 4 5 6 7 8 9 10 11

Ln(1)ndashO(1) 2486(2) 2523(3) 2469(3) 2481(2) 2467(3) 2458(3) 2446(3) 2385(3) 2382(3) 2365(3) 2383(5)

Ln(1)ndashO(2) 2532(2) 2479(3) 2491(3) 2496(3) 2465(3) 2459(3) 2450(4) 2387(3) 2374(3) 2374(3) 2399(5)

Ln(1)ndashO(3) 2492(2) 2523(3) 2514(3) 2443(2) 2422(3) 2405(3) 2477(4) 2436(3) 2464(3) 2424(3) 2357(4)

Ln(1)ndashO(4) 2541(2) 2583(3) 2504(3) 2424(2) 2413(3) 2417(2) 2443(3) 2437(3) 2420(3) 2406(3) 2345(4)

Ln(1)ndashO(5) 2597(2) 2519(3) 2448(3) 2484(2) 2469(3) 2461(3) 2399(3) 2467(3) 2430(3) 2411(3) 2353(6)

Ln(1)ndashO(6) 2537(2) 2471(3) 2469(3) 2475(2) 2426(3) 2418(3) 2454(3) 2428(3) 2421(3) 2455(3) 2439(6)

Ln(1)ndashO(7) 2572(2) 2505(3) 2511(3) 2472(2) 2486(3) 2459(3) 2404(3) 2448(3) 2384(3) 2448(4) 2448(5)

Ln(1)ndashO(8) 2520(2) 2548(3) 2495(3) 2438(3) 2464(3) 2484(3) 2398(3) 2390(3) 2445(4) 2372(4) 2395(5)

Ln(1)ndashO(9) 2513(2) 2488(3) 2550(4) 2515(3) 2488(4) 2486(3) 2468(4) 2450(3) 2443(4) 2421(4) 2405(6)

Electronic Supplementary Material (ESI) for CrystEngCommThis journal is copy The Royal Society of Chemistry 2013

- 2 -


12 13 14 15 16

Ln(1)ndashO(3) 2340(4) 2328(4) 2348(5) 2363(8) 2359(5)

Ln(1)ndashO(2)(4) 2360(4) 2396(5) 2383(5) 2325(8) 2320(5)

Ln(1)ndashO(1)1 2395(4) 2349(5) 2325(4) 2297(7) 2293(4)

Ln(1)ndashO(9) 2406(5) 2401(5) 2392(5) 2369(9) 2360(5)

Ln(1)ndashO(10) 2412(5) 2408(6) 2387(5) 2373(8) 2352(5)

Ln(1)ndashN(4)(3) 2431(4) 2424(5) 2423(5) 2405(9) 2387(6)

Ln(1)ndashN(1)2 2596(5) 2591(5) 2576(5) 2566(10) 2558(5)

Ln(1)ndashO(5)(7) 2641(3) 2635(4) 2629(4) 2631(7) 2611(4)

Ln(2)ndashO(7)3 2361(4) 2705(4) 2344(4) 2335(8) 2437(5)

Ln(2)ndashO(4)(2) 2402(4) 2392(4) 2396(4) 2357(7) 2356(4)

Ln(2)ndashO(11) 2464(5) 2453(5) 2437(5) 2415(9) 2410(5)

Ln(2)ndashO(8) 2485(4) 2509(4) 2467(4) 2445(8) 2314(5)

Ln(2)ndashO(6) 2517(4) 2347(4) 2497(4) 2480(8) 2463(5)

Ln(2)ndashN(3)(4) 2528(5) 2520(6) 2509(5) 2501(10) 2480(6)

Ln(2)ndashO(6)4(8) 2547(3) 2527(4) 2528(4) 2518(7) 2520(4)

Ln(2)ndashN(2) 2548(5) 2531(5) 2520(5) 2514(10) 2483(5)

Ln(2)ndashO(5) 2715(4) 2466(5) 2710(4) 2697(7) 2709(4)


- 3 -

Table S3 Important hydrogen bond interactions in complexes 1ndash11

DndashHmiddotmiddotmiddotA DndashH Aring HmiddotmiddotmiddotA Aring DmiddotmiddotmiddotA Aring ltDndashHmiddotmiddotmiddotA ordm

1

O7ndashH7AmiddotmiddotmiddotO8 a 0820 2229 16494 3028

O8ndashH8AmiddotmiddotmiddotO6 b 0820 1940 15473 2704

O9ndashH9CmiddotmiddotmiddotO4 c 0850 2306 11907 2819

O9ndashH9CmiddotmiddotmiddotO3 d 0850 2553 13428 3205

OW2ndashHW2AmiddotmiddotmiddotOW1 0850 1939 14150 2657

OW2ndashHW2AmiddotmiddotmiddotOW1 e 0850 2083 15250 2864

OW2ndashHW2BmiddotmiddotmiddotO7 f 0850 2110 16061 2925


2

O7ndashH7CmiddotmiddotmiddotO3 g 0850 1918 15165 2697

O8ndashH8AmiddotmiddotmiddotOW1 0820 2059 16863 2868


O8ndashH8BmiddotmiddotmiddotO4 a 0850 2037 16770 2873

O9ndashH9AmiddotmiddotmiddotO1 h 0820 2169 13708 2826


OW1ndashHW1BmiddotmiddotmiddotO7 a 0850 2299 13201 2937

OW1ndashHW1CmiddotmiddotmiddotOW2 i 0850 1409 12586 2028

OW2ndashHW2AmiddotmiddotmiddotOW2 j 0850 1340 14910 2115

OW2ndashHW2AmiddotmiddotmiddotOW1 k 0850 1420 12466 2028

OW3ndashHW3BmiddotmiddotmiddotOW2 a 0850 2284 14478 3019

OW3ndashHW3CmiddotmiddotmiddotO8 i 0850 2204 14054 2911

3

O9ndashH9BmiddotmiddotmiddotOW1 l 0850 2099 13619 2776

O9ndashH9CmiddotmiddotmiddotOW1 m

0850 2284 12536 2861

OW1ndashHW1BmiddotmiddotmiddotO4 n 0850 2358 13904 3051

OW1ndashHW1CmiddotmiddotmiddotOW3 o 0850 2609 14396 3334

OW1ndashHW1CmiddotmiddotmiddotO3 o 0850 2640 11284 3072

OW2ndashHW2BmiddotmiddotmiddotOW1 m

0850 2316 15334 3099

OW2ndashHW2BmiddotmiddotmiddotOW3 p 0850 2383 11443 2842

OW2ndashHW2CmiddotmiddotmiddotO8 0850 2097 14637 2844

OW3ndashHW3AmiddotmiddotmiddotOW2 q 0850 2163 13666 2842

OW3ndashHW3BmiddotmiddotmiddotO7 l 0850 2192 15727 2994

4

O9ndashH9AmiddotmiddotmiddotOW1 m

0850 2460 11104 2877

O9ndashH9CmiddotmiddotmiddotOW1 l 0850 2204 12283 2759

OW1ndashHW1AmiddotmiddotmiddotO2 o 0850 2237 15623 3035

OW1ndashHW1AmiddotmiddotmiddotO1 n 0850 2373 13854 3062

OW1ndashHW1BmiddotmiddotmiddotOW2 o 0850 2389 13238 3028

OW1ndashHW1BmiddotmiddotmiddotO4 r 0850 2654 14839 3407

OW2ndashHW2AmiddotmiddotmiddotO6 q 0850 2038 15709 2840

OW2ndashHW2BmiddotmiddotmiddotOW2 s 0850 2623 15083 3391


- 4 -



5

O9ndashH9CmiddotmiddotmiddotOW2 0850 2316 12221 2861

OW1ndashHW1AmiddotmiddotmiddotO2 t 0850 2430 12111 2960

OW2ndashHW2BmiddotmiddotmiddotOW3 0850 2486 12173 3020

OW3ndashHW3AmiddotmiddotmiddotO1 0850 2227 12692 2821


6

O9ndashH9BmiddotmiddotmiddotOW3 j 0850 2276 12473 2847


OW1ndashHW1BmiddotmiddotmiddotO2 j 0850 2070 14721 2822


OW1ndashHW1CmiddotmiddotmiddotOW2 u 0850 2000 16107 2818


OW3ndashHW3AmiddotmiddotmiddotO8 u 0850 2288 14037 2992

OW3ndashHW3AmiddotmiddotmiddotO7 p 0850 2347 14741 3097

OW3ndashHW3BmiddotmiddotmiddotOW2 u 0850 2478 15710 3278

7

O9ndashH9BmiddotmiddotmiddotOW3 v 0850 2292 12473 2863


OW1ndashHW1CmiddotmiddotmiddotO1 w 0850 2233 14243 2953

OW2ndashHW2BmiddotmiddotmiddotO8 x 0850 2322 16784 3158

OW2ndashHW2CmiddotmiddotmiddotOW2 y 0850 2542 15147 3313

OW3ndashHW3AmiddotmiddotmiddotO3 z 0850 2220 14705 2969


OW3ndashHW3BmiddotmiddotmiddotOW1 z 0850 2457 15713 3257

OW3ndashHW3BmiddotmiddotmiddotOW2 aa

0850 2462 12162 2997

8

O9ndashH9BmiddotmiddotmiddotOW1 0850 2289 12452 2858


OW1ndashHW1AmiddotmiddotmiddotO5 x 0850 2109 17292 2954

OW1ndashHW1AmiddotmiddotmiddotO6 bb

0850 2600 11986 3112


OW1ndashHW1BmiddotmiddotmiddotOW3 q 0850 2568 13990 3264



OW2ndashHW2BmiddotmiddotmiddotO4 0850 2286 12283 2838


9




OW1ndashHW1CmiddotmiddotmiddotOW1 w 0850 2553 15740 3354


- 5 -

OW2ndashHW2AmiddotmiddotmiddotO6 cc

0850 2379 12169 2916

OW3ndashHW3BmiddotmiddotmiddotOW1 l 0850 2398 12022 2920


OW3ndashHW3CmiddotmiddotmiddotO3 bb

0850 2186 14795 2942

OW3ndashHW3CmiddotmiddotmiddotO4 x 0850 2342 15256 3122

10


O9ndashH9CmiddotmiddotmiddotOW1 dd

0850 2082 13715 2766



OW1ndashHW1BmiddotmiddotmiddotOW3 ee

0850 2422 15133 3193




OW3ndashHW3BmiddotmiddotmiddotO1 ff 0850 2370 11840 2874

11

O9ndashH9AmiddotmiddotmiddotOW2 gg

0820 2296 12713 2866

OW1ndashHW1BmiddotmiddotmiddotO1 hh

0850 2306 13260 2948

OW2ndashHW2AmiddotmiddotmiddotOW1 ii 0850 2373 15355 3157

OW2ndashHW2CmiddotmiddotmiddotO7 ii 0850 2225 14086 2934


OW3ndashHW3DmiddotmiddotmiddotO2 0850 2082 14803 2839

OW3ndashHW3AmiddotmiddotmiddotOW1 x 0850 2213 11668 2704

OW3ndashHW3AmiddotmiddotmiddotOW2 gg

0850 2218 14979 2983

Symmetry transformations used to generate equivalent atoms (a) x ndashy+12 z+12

(b) ndashx+2 y+12 ndashz+32 (c) ndashx+2 yndash12 ndashz+32 (d) x ndashyndash12 zndash12 (e) ndashx+1 ndashy

ndashz+2 (f) ndashx+1 yndash12 ndashz+32 (g) ndashx+1 y+12 ndashz+12 (h) ndashx+1 yndash12 ndashz+12 (i)

ndashx yndash12 ndashz+12 (j) ndashx ndashy+1 ndashz (k) ndashx y+12 ndashz+12(l) ndashx ndashy+1 ndashz+1 (m) x y

zndash1 (n) xndash12 ndashy+12 z+12 (o) ndashx+12 yndash12 ndashz+32 (p) ndashx+12 yndash12 ndashz+12

(q) ndashx+12 y+12 ndashz+12 (r) x y z+1 (s) ndashx ndashy+2 ndashz+1 (t) x+12 ndashy+32 zndash12

(u) xndash12 ndashy+12 zndash12 (v) ndashx+1 ndashy+1 ndashz+2 (w) ndashx+1 ndashy+1 ndashz+1 (x) ndashx+12

y+12 ndashz+32 (y) ndashx+1 ndashy+2 ndashz+1 (z) x+12 ndashy+12 z+12 (aa) x+12 ndashy+32

z+12 (bb) xndash12 ndashy+32 zndash12 (cc) ndashx ndashy+1 ndashz+2 (dd) ndashx ndashy ndashz (ee) ndashx+1 ndashy

ndashz (ff) x+12 ndashyndash12 zndash12 (gg) ndashx ndashy ndashz+1 (hh) ndashx ndashy ndashz+2 (ii) xndash12 ndashyndash12

zndash12


- 6 -



12

O9ndashH9BmiddotmiddotmiddotO4 0820 2256 11972 2756


O10ndashH10AmiddotmiddotmiddotO8 0820 1954 14752 2682

O11ndashH11AmiddotmiddotmiddotOW2 b 0820 2401 16335 3195

O11ndashH11AmiddotmiddotmiddotOW2 c 0820 2559 11764 3028

O11ndashH11BmiddotmiddotmiddotN3 d 0850 2469 16092 3284

OW1ndashHW1AmiddotmiddotmiddotO10 b 0850 2415 16193 3234


OW2ndashHW2BmiddotmiddotmiddotO11 e 0850 2401 13104 3028

OW2ndashHW2CmiddotmiddotmiddotO7 f 0850 2422 16011 3234

OW3ndashHW3AmiddotmiddotmiddotO9 e 0850 2135 12395 2704

13


O10ndashH10AmiddotmiddotmiddotO2 g 0820 2468 16794 3274


O10ndashH10BmiddotmiddotmiddotO3 g 0960 2536 11725 3096

O11ndashH11AmiddotmiddotmiddotOW2 h 0820 2326 16778 3132


O11ndashH11BmiddotmiddotmiddotN4 i 0960 2332 15974 3250

OW1ndashHW1BmiddotmiddotmiddotO10 h 0850 2045 12512 2628

OW2ndashHW2AmiddotmiddotmiddotOW2 h 0850 1395 14135 2126



OW3ndashHW3AmiddotmiddotmiddotO4 h 0850 2485 15537 3276

14

O9ndashH9AmiddotmiddotmiddotO4 l 0850 2457 16135 3274

O9ndashH9BmiddotmiddotmiddotO2 l 0850 1914 16284 2738


0850 2544 14517 3278




O11ndashH11BmiddotmiddotmiddotOW2 n 0850 2373 13958 3070


OW1ndashHW1BmiddotmiddotmiddotO2 o 0850 2564 14075 3267




OW3ndashHW3AmiddotmiddotmiddotO9 l 0850 2245 11055 2665

15


O9ndashH9BmiddotmiddotmiddotO2 o 0960 2175 11619 2737


- 7 -


O11ndashH11AmiddotmiddotmiddotOW1 p 0820 2219 14173 2908

O11ndashH11BmiddotmiddotmiddotN3 p 0960 2286 16059 3207




OW3ndashHW3BmiddotmiddotmiddotO3 o 0850 2441 112032870

16


O10ndashH10AmiddotmiddotmiddotO3 q 0820 2478 16654 3281


O10ndashH10BmiddotmiddotmiddotO1 q 0850 2647 11720 3128

O11ndashH11BmiddotmiddotmiddotN3 r 0820 2416 16098 3203


OW1ndashHW1BmiddotmiddotmiddotO10 q 0850 2194 11796 2699



OW3ndashHW3CmiddotmiddotmiddotOW3 h 0850 1404 11426 1917

OW3ndashHW3CmiddotmiddotmiddotO11 h 0850 2407 13793 3091

Symmetry transformations used to generate equivalent atoms (a) xndash14 ndashy+74

ndashzndash14 (b) xndash14 ndashy+54 zndash14 (c) ndashx+74 y+34 zndash14 (d) ndashx+2 ndashy+1 ndashzndash1 (e)

xndash34 ndashy+74 z+14 (f) ndashx+2 ndashy+12 z (g) ndashx+34 yndash34 ndashz+34 (h) ndashx ndashy+32

z (i) ndashx ndashy+2 ndashz (j) ndashx+34 yndash34 ndashzndash14 (k) x+34 ndashy+34 ndashzndash14(l) x+14

ndashy+54 ndashz+14 (m) ndashx+54 y+14 z+14 (n) ndashx+1 ndashy+32 z (o) yndash14 ndashx+54

ndashz+14 (p) ndashx+12 ndashy+32 ndashzndash12 (q) ndashy+34 x+34 ndashz+34 (r) ndashx ndashy+1 ndashz


- 8 -

Fig S1 UVndashVis absorption spectrum of the oxalic acid ligand in solidndashstate


- 9 -

Fig S2 UVndashVis absorption spectrum of the imidazolendash45ndashdicarboxylate ligand in

solidndashstate


- 10 -

Fig S3 The structural unit of [(H3IMDC)2(PZ)05(H2O)] with labeling scheme and

50 thermal ellipsoids


- 11 -

10 15 20 25 30 35 40 45

7

5

4

Simulation

2 Theta (deg)

Fig S4 PXRD patterns of 4 5 and 7 compared with a simulated pattern


- 12 -

5 10 15 20 25 30 35 40 45 50

16

15

14

12

Simulation

2 Theta (deg)

Fig S5 PXRD patterns of 12 14 15 and 16 compared with a simulated pattern


- 13 -

Fig S6 The 13

C NMR spectrum of L-proline


- 14 -

180 160 140 120 100 80 60 40 20 0

ppm

Fig S7 The 13

C NMR spectrum of the reaction product


- 2 -


12 13 14 15 16

Ln(1)ndashO(3) 2340(4) 2328(4) 2348(5) 2363(8) 2359(5)

Ln(1)ndashO(2)(4) 2360(4) 2396(5) 2383(5) 2325(8) 2320(5)

Ln(1)ndashO(1)1 2395(4) 2349(5) 2325(4) 2297(7) 2293(4)

Ln(1)ndashO(9) 2406(5) 2401(5) 2392(5) 2369(9) 2360(5)

Ln(1)ndashO(10) 2412(5) 2408(6) 2387(5) 2373(8) 2352(5)

Ln(1)ndashN(4)(3) 2431(4) 2424(5) 2423(5) 2405(9) 2387(6)

Ln(1)ndashN(1)2 2596(5) 2591(5) 2576(5) 2566(10) 2558(5)

Ln(1)ndashO(5)(7) 2641(3) 2635(4) 2629(4) 2631(7) 2611(4)

Ln(2)ndashO(7)3 2361(4) 2705(4) 2344(4) 2335(8) 2437(5)

Ln(2)ndashO(4)(2) 2402(4) 2392(4) 2396(4) 2357(7) 2356(4)

Ln(2)ndashO(11) 2464(5) 2453(5) 2437(5) 2415(9) 2410(5)

Ln(2)ndashO(8) 2485(4) 2509(4) 2467(4) 2445(8) 2314(5)

Ln(2)ndashO(6) 2517(4) 2347(4) 2497(4) 2480(8) 2463(5)

Ln(2)ndashN(3)(4) 2528(5) 2520(6) 2509(5) 2501(10) 2480(6)

Ln(2)ndashO(6)4(8) 2547(3) 2527(4) 2528(4) 2518(7) 2520(4)

Ln(2)ndashN(2) 2548(5) 2531(5) 2520(5) 2514(10) 2483(5)

Ln(2)ndashO(5) 2715(4) 2466(5) 2710(4) 2697(7) 2709(4)


- 3 -



1









2













3



0850 2284 12536 2861





0850 2316 15334 3099





4


0850 2460 11104 2877









- 4 -



5






6










7










0850 2462 12162 2997

8





0850 2600 11986 3112







9






- 5 -


0850 2379 12169 2916




0850 2186 14795 2942


10



0850 2082 13715 2766




0850 2422 15133 3193





11


0820 2296 12713 2866


0850 2306 13260 2948







0850 2218 14979 2983











zndash12


- 6 -



12












13













14




0850 2544 14517 3278











15




- 7 -








16



















- 8 -



- 9 -


solidndashstate


- 10 -




- 11 -

10 15 20 25 30 35 40 45

7

5

4

Simulation

2 Theta (deg)



- 12 -

5 10 15 20 25 30 35 40 45 50

16

15

14

12

Simulation

2 Theta (deg)



- 13 -

Fig S6 The 13



- 14 -

180 160 140 120 100 80 60 40 20 0

ppm

Fig S7 The 13



- 3 -



1









2













3



0850 2284 12536 2861





0850 2316 15334 3099





4


0850 2460 11104 2877









- 4 -



5






6










7










0850 2462 12162 2997

8





0850 2600 11986 3112







9






- 5 -


0850 2379 12169 2916




0850 2186 14795 2942


10



0850 2082 13715 2766




0850 2422 15133 3193





11


0820 2296 12713 2866


0850 2306 13260 2948







0850 2218 14979 2983











zndash12


- 6 -



12












13













14




0850 2544 14517 3278











15




- 7 -








16



















- 8 -



- 9 -


solidndashstate


- 10 -




- 11 -

10 15 20 25 30 35 40 45

7

5

4

Simulation

2 Theta (deg)



- 12 -

5 10 15 20 25 30 35 40 45 50

16

15

14

12

Simulation

2 Theta (deg)



- 13 -

Fig S6 The 13



- 14 -

180 160 140 120 100 80 60 40 20 0

ppm

Fig S7 The 13



- 4 -



5






6










7










0850 2462 12162 2997

8





0850 2600 11986 3112







9






- 5 -


0850 2379 12169 2916




0850 2186 14795 2942


10



0850 2082 13715 2766




0850 2422 15133 3193





11


0820 2296 12713 2866


0850 2306 13260 2948







0850 2218 14979 2983











zndash12


- 6 -



12












13













14




0850 2544 14517 3278











15




- 7 -








16



















- 8 -



- 9 -


solidndashstate


- 10 -




- 11 -

10 15 20 25 30 35 40 45

7

5

4

Simulation

2 Theta (deg)



- 12 -

5 10 15 20 25 30 35 40 45 50

16

15

14

12

Simulation

2 Theta (deg)



- 13 -

Fig S6 The 13



- 14 -

180 160 140 120 100 80 60 40 20 0

ppm

Fig S7 The 13



- 5 -


0850 2379 12169 2916




0850 2186 14795 2942


10



0850 2082 13715 2766




0850 2422 15133 3193





11


0820 2296 12713 2866


0850 2306 13260 2948







0850 2218 14979 2983











zndash12


- 6 -



12












13













14




0850 2544 14517 3278











15




- 7 -








16



















- 8 -



- 9 -


solidndashstate


- 10 -




- 11 -

10 15 20 25 30 35 40 45

7

5

4

Simulation

2 Theta (deg)



- 12 -

5 10 15 20 25 30 35 40 45 50

16

15

14

12

Simulation

2 Theta (deg)



- 13 -

Fig S6 The 13



- 14 -

180 160 140 120 100 80 60 40 20 0

ppm

Fig S7 The 13



- 6 -



12












13













14




0850 2544 14517 3278











15




- 7 -








16



















- 8 -



- 9 -


solidndashstate


- 10 -




- 11 -

10 15 20 25 30 35 40 45

7

5

4

Simulation

2 Theta (deg)



- 12 -

5 10 15 20 25 30 35 40 45 50

16

15

14

12

Simulation

2 Theta (deg)



- 13 -

Fig S6 The 13



- 14 -

180 160 140 120 100 80 60 40 20 0

ppm

Fig S7 The 13



- 7 -








16



















- 8 -



- 9 -


solidndashstate


- 10 -




- 11 -

10 15 20 25 30 35 40 45

7

5

4

Simulation

2 Theta (deg)



- 12 -

5 10 15 20 25 30 35 40 45 50

16

15

14

12

Simulation

2 Theta (deg)



- 13 -

Fig S6 The 13



- 14 -

180 160 140 120 100 80 60 40 20 0

ppm

Fig S7 The 13



- 8 -



- 9 -


solidndashstate


- 10 -




- 11 -

10 15 20 25 30 35 40 45

7

5

4

Simulation

2 Theta (deg)



- 12 -

5 10 15 20 25 30 35 40 45 50

16

15

14

12

Simulation

2 Theta (deg)



- 13 -

Fig S6 The 13



- 14 -

180 160 140 120 100 80 60 40 20 0

ppm

Fig S7 The 13



- 9 -


solidndashstate


- 10 -




- 11 -

10 15 20 25 30 35 40 45

7

5

4

Simulation

2 Theta (deg)



- 12 -

5 10 15 20 25 30 35 40 45 50

16

15

14

12

Simulation

2 Theta (deg)



- 13 -

Fig S6 The 13



- 14 -

180 160 140 120 100 80 60 40 20 0

ppm

Fig S7 The 13



- 10 -




- 11 -

10 15 20 25 30 35 40 45

7

5

4

Simulation

2 Theta (deg)



- 12 -

5 10 15 20 25 30 35 40 45 50

16

15

14

12

Simulation

2 Theta (deg)



- 13 -

Fig S6 The 13



- 14 -

180 160 140 120 100 80 60 40 20 0

ppm

Fig S7 The 13



- 11 -

10 15 20 25 30 35 40 45

7

5

4

Simulation

2 Theta (deg)



- 12 -

5 10 15 20 25 30 35 40 45 50

16

15

14

12

Simulation

2 Theta (deg)



- 13 -

Fig S6 The 13



- 14 -

180 160 140 120 100 80 60 40 20 0

ppm

Fig S7 The 13



- 12 -

5 10 15 20 25 30 35 40 45 50

16

15

14

12

Simulation

2 Theta (deg)



- 13 -

Fig S6 The 13



- 14 -

180 160 140 120 100 80 60 40 20 0

ppm

Fig S7 The 13



- 13 -

Fig S6 The 13



- 14 -

180 160 140 120 100 80 60 40 20 0

ppm

Fig S7 The 13



- 14 -

180 160 140 120 100 80 60 40 20 0

ppm

Fig S7 The 13



table s1 1 11 1 2 3 4 5 6 7 8 9 10 11 ln (1) ln(1) · ln(2)–o(4)(2) 2.402(4) 2.392(4) 2.396(4)...

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