Crystallography Open Database
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Searching journal of publication like 'crystengcomm'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 1516282 | CIF | C60 H60 Cd2 N10 O21 | C 1 2/c 1 | 47.182; 9.857; 32.787 90; 101.008; 90 | 14968 | Song, Bai-Qiao; Wang, Xin-Long; Yang, Guang-Sheng; Wang, Hai-Ning; Liang, Jun; Shao, Kui-Zhan; Su, Zhong-Min A polyrotaxane-like metal‒organic framework exhibiting luminescent sensing of Eu3+cations and proton conductivity CrystEngComm, 2014, 16, 6882 |
| 1518960 | CIF | C57 H42 F9 N6 O6 | P -1 | 9.8293; 10.383; 24.9908 84.684; 81.333; 71.773 | 2392.1 | Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C. Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives CrystEngComm, 2015, 17, 3610 |
| 1518961 | CIF | C20 H19 N2 O2 | P -1 | 7.3086; 8.6692; 13.632 106.135; 99.428; 98.758 | 800.46 | Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C. Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives CrystEngComm, 2015, 17, 3610 |
| 1518962 | CIF | C19 H16 Cl N2 O2 | P 1 21/c 1 | 4.7081; 45.2195; 7.9188 90; 106.896; 90 | 1613.12 | Wittering, K. E.; Agnew, L. R.; Klapwijk, A. R.; Robertson, K.; Cousen, A. J. P.; Cruickshank, D. L.; Wilson, C. C. Crystallisation and physicochemical property characterisation of conformationally-locked co-crystals of fenamic acid derivatives CrystEngComm, 2015, 17, 3610 |
| 1519444 | CIF | C14 H13 N3 O | P 1 21/c 1 | 13.488; 9.6611; 9.3604 90; 90.183; 90 | 1219.7 | Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A. Structural insights into the hexamorphic system of an isoniazid derivative CrystEngComm, 2015, 17, 5143 |
| 1519445 | CIF | C14 H13 N3 O | P 1 21/c 1 | 25.8998; 5.5463; 8.3187 90; 95.876; 90 | 1188.69 | Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A. Structural insights into the hexamorphic system of an isoniazid derivative CrystEngComm, 2015, 17, 5143 |
| 1519446 | CIF | C14 H13 N3 O | P 1 21/c 1 | 10.2114; 30.3315; 8.2353 90; 110.193; 90 | 2393.92 | Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A. Structural insights into the hexamorphic system of an isoniazid derivative CrystEngComm, 2015, 17, 5143 |
| 1519447 | CIF | C14 H13 N3 O | P b c a | 6.3542; 7.6624; 49.231 90; 90; 90 | 2397 | Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A. Structural insights into the hexamorphic system of an isoniazid derivative CrystEngComm, 2015, 17, 5143 |
| 1519448 | CIF | C14 H13 N3 O | P -1 | 9.736; 9.8752; 26.1543 92.856; 100.295; 91.291 | 2469.8 | Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A. Structural insights into the hexamorphic system of an isoniazid derivative CrystEngComm, 2015, 17, 5143 |
| 1519449 | CIF | C14 H13 N3 O | P 1 21/c 1 | 10.6217; 14.442; 8.2589 90; 109.623; 90 | 1193.3 | Hean, D.; Gelbrich, T.; Griesser, U. J.; Michael, J. P.; Lemmerer, A. Structural insights into the hexamorphic system of an isoniazid derivative CrystEngComm, 2015, 17, 5143 |
| 1519665 | CIF | C66 H66 Co3 N10 O24 S2 | P -1 | 8.066; 11.397; 19.555 74.776; 80.442; 85.17 | 1708.9 | Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies CrystEngComm, 2015, 17, 4502 |
| 1519666 | CIF | C26 H26 Co3 N2 O20 S2 | C 1 2/c 1 | 25.2378; 8.6872; 18.8139 90; 130.447; 90 | 3139.1 | Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies CrystEngComm, 2015, 17, 4502 |
| 1519667 | CIF | C56 H74 Co3 N8 O32 S2 | P 1 21/n 1 | 7.6877; 24.3258; 18.1655 90; 94.185; 90 | 3388.1 | Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies CrystEngComm, 2015, 17, 4502 |
| 1519668 | CIF | C36 H26 Co N4 O14 S2 | P -1 | 9.4916; 9.5694; 10.5062 105.776; 109.863; 94.71 | 847.49 | Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies CrystEngComm, 2015, 17, 4502 |
| 1519669 | CIF | C56 H56 Co2 N8 O22 S2 | P 1 21/n 1 | 10.118; 13.926; 19.699 90; 90.537; 90 | 2775.5 | Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies CrystEngComm, 2015, 17, 4502 |
| 1519670 | CIF | C7 H6 I N O | C 1 2/c 1 | 10.5832; 15.6631; 9.8457 90; 96.447; 90 | 1621.76 | Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard The iodine–oxygen halogen bond: solid-state structures of 3-iodopropiolamides CrystEngComm, 2015, 17, 4486 |
| 1519671 | CIF | C7 H8 I N O | C 1 2/c 1 | 10.344; 15.8341; 10.4832 90; 95.996; 90 | 1707.63 | Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard The iodine–oxygen halogen bond: solid-state structures of 3-iodopropiolamides CrystEngComm, 2015, 17, 4486 |
| 1519672 | CIF | C8 H10 I N O | P 1 21/c 1 | 9.1784; 8.6829; 11.5199 90; 92.699; 90 | 917.06 | Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard The iodine–oxygen halogen bond: solid-state structures of 3-iodopropiolamides CrystEngComm, 2015, 17, 4486 |
| 1519673 | CIF | C7 H8 I N O2 | P 1 21/c 1 | 8.7638; 8.591; 11.4989 90; 101.488; 90 | 848.41 | Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard The iodine–oxygen halogen bond: solid-state structures of 3-iodopropiolamides CrystEngComm, 2015, 17, 4486 |
| 1519674 | CIF | C5 H5 I N2 O | P 1 21/c 1 | 10.812; 8.1725; 9.279 90; 102.202; 90 | 801.38 | Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard The iodine–oxygen halogen bond: solid-state structures of 3-iodopropiolamides CrystEngComm, 2015, 17, 4486 |
| 1519675 | CIF | C4 H4 I N O | P c a 21 | 16.1674; 4.1334; 9.0094 90; 90; 90 | 602.07 | Kratzer, Philipp; Ramming, Bastian; Römisch, Steven; Maas, Gerhard The iodine–oxygen halogen bond: solid-state structures of 3-iodopropiolamides CrystEngComm, 2015, 17, 4486 |
| 1520076 | CIF | C108 H108 Ag2 B20 P6 | P 1 21/c 1 | 12.828; 25.0953; 21.3666 90; 131.748; 90 | 5131.8 | Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V. Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane CrystEngComm, 2015, 17, 8870 |
| 1520077 | CIF | C108 H108 Ag2 B20 P6 | P 1 21/c 1 | 12.9112; 25.0981; 21.0634 90; 131.739; 90 | 5093.1 | Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V. Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane CrystEngComm, 2015, 17, 8870 |
| 1520078 | CIF | C108 H108 Ag2 B20 P6 | P 1 21/c 1 | 12.99; 25.155; 21.7332 90; 131.733; 90 | 5299.6 | Avdeeva, Varvara V.; Buzin, Mikhail I.; Malinina, Elena A.; Kuznetsov, Nikolay T.; Vologzhanina, Anna V. Reversible single-crystal-to-single-crystal photoisomerization of a silver(i) macropolyhedral borane CrystEngComm, 2015, 17, 8870 |
| 1520079 | CIF | C12 H0.25 O13 Zn3 | C 1 2/c 1 | 17.1017; 13.7034; 10.0254 90; 105.429; 90 | 2264.8 | Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate CrystEngComm, 2015, 17, 5101 |
| 1520080 | CIF | C65 H69 N7 O44.17 Zn6 | P -1 | 12.6947; 12.8242; 14.7971 85.11; 65.988; 89.663 | 2191.4 | Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate CrystEngComm, 2015, 17, 5101 |
| 1520081 | CIF | C17 H19 N2 O11 Zn1.5 | P 1 21/c 1 | 9.3468; 15.2267; 17.6517 90; 95.599; 90 | 2500.2 | Li, Huan-Huan; Niu, Zheng; Chen, Long; Jiang, Hao-Bin; Wang, Ya-Ping; Cheng, Peng Three luminescent metal‒organic frameworks constructed from trinuclear zinc(ii) clusters and furan-2,5-dicarboxylate CrystEngComm, 2015, 17, 5101 |
| 1520118 | CIF | C11 H12 O5 | P 1 21/n 1 | 4.7531; 15.683; 14.17 90; 90.383; 90 | 1056.2 | Sinha, A. S.; Rao Khandavilli, U. B.; O’Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E. Novel co-crystals of the nutraceutical sinapic acid CrystEngComm, 2015, 17, 4832 |
| 1520119 | CIF | C17 H18 N2 O6 | P -1 | 4.9109; 9.1732; 18.814 99.563; 94.601; 90.531 | 832.9 | Sinha, A. S.; Rao Khandavilli, U. B.; O’Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E. Novel co-crystals of the nutraceutical sinapic acid CrystEngComm, 2015, 17, 4832 |
| 1520120 | CIF | C17 H16 N2 O5 | P 1 21/c 1 | 14.893; 31.878; 6.5992 90; 95.192; 90 | 3120.2 | Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E. Novel co-crystals of the nutraceutical sinapic acid CrystEngComm, 2015, 17, 4832 |
| 1520121 | CIF | C22 H28 N4 O6 S | P -1 | 8.2922; 10.5857; 14.7818 98.274; 94.315; 105.62 | 1227.7 | Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E. Novel co-crystals of the nutraceutical sinapic acid CrystEngComm, 2015, 17, 4832 |
| 1520122 | CIF | C22 H28 N4 O6 S | P -1 | 8.452; 10.605; 14.9134 98.535; 94.47; 104.13 | 1272.82 | Sinha, A. S.; Rao Khandavilli, U. B.; O'Connor, E. L.; Deadman, B. J.; Maguire, A. R.; Lawrence, S. E. Novel co-crystals of the nutraceutical sinapic acid CrystEngComm, 2015, 17, 4832 |
| 1529454 | CIF | C34 H38 N3 O7 P | P 21 21 21 | 9.9296; 13.1794; 24.2673 90; 90; 90 | 3175.8 | Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T. Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate CrystEngComm, 2015, 17, 7430 |
| 1529455 | CIF | C36 H45 Cl N3 O8 P | P -1 | 11.4763; 11.9281; 15.1054 87.156; 78.155; 64.918 | 1831.3 | Otsuka, M.; Maeno, Y.; Fukami, T.; Inoue, M.; Tagami, T.; Ozeki, T. Developmental considerations for ethanolates with regard to stability and physicochemical characterization of efonidipine hydrochloride ethanolate CrystEngComm, 2015, 17, 7430 |
| 1529456 | CIF | C14 H13 N O5 Pb | P -4 21 c | 19.0391; 19.0391; 8.0073 90; 90; 90 | 2902.54 | Knichal, Jane V.; Gee, William J.; Burrows, Andrew D.; Raithby, Paul R.; Wilson, Chick C. A new small molecule gelator and 3D framework ligator of lead(ii) CrystEngComm, 2015, 17, 8139 |
| 1529472 | CIF | C6 H6 Cd3 N8 O6 | F d d 2 | 12.808; 24.306; 7.7275 90; 90; 90 | 2406 | Wu, Mei-Feng; Shen, Ting-Ting; He, Shuai; Wu, Ke-Qin; Wang, Shuai-Hua; Liu, Zhi-Fa; Zheng, Fa-Kun; Guo, Guo-Cong An unprecedented organic‒inorganic hybrid material with an I3O3framework based on cadmium hydroxide and in situ generated 1H-tetrazolate-5-acetic acid CrystEngComm, 2015, 17, 7473 |
| 1530397 | CIF | C59 H99 Co3 Fe2 N21 O22 | C 1 2/c 1 | 26.362; 16.67; 19.521 90; 108.29; 90 | 8145 | Pan, F.; Gao, S.; Liu, H. Z. A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers CrystEngComm, 2015, 17, 7490 |
| 1530398 | CIF | C114 H164 Co6 Fe4 N42 O31 | P 1 21/c 1 | 17.276; 29.697; 31.436 90; 98.5; 90 | 15951 | Pan, F.; Gao, S.; Liu, H. Z. A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers CrystEngComm, 2015, 17, 7490 |
| 1530399 | CIF | C57 H75 Co3 Fe2 N21 O12 | P 1 21/n 1 | 10.187; 42.792; 17.083 90; 101.5; 90 | 7297 | Pan, F.; Gao, S.; Liu, H. Z. A heterometallic nanosized tube {Fe[(CN)6]2[Co(LN3O2)]3}nand two of its lamellar polymorphous isomers CrystEngComm, 2015, 17, 7490 |
| 1540392 | CIF | Ba0.1 O4 Si Sr1.9 | P m n b | 5.674; 7.086; 9.745 90; 90; 90 | 391.81 | Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties CrystEngComm, 2015, 17, 9123 |
| 1540393 | CIF | Ba0.15 N O4 Si Sr2.85 | P m n b | 5.6796; 7.1386; 9.7639 90; 90; 90 | 395.87 | Li, Xiaojun; Hua, Youjie; Ma, Hongping; Deng, Degang; Xu, Shiqing Modification of the crystal structure of Sr2−xBaxSi(O,N)4: Eu2+phosphors to improve their luminescence properties CrystEngComm, 2015, 17, 9123 |
| 1540663 | CIF | C44 H40 N8 O8 Zn2 | C 1 2/c 1 | 12.0935; 34.0051; 31.9458 90; 93.564; 90 | 13112 | Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm, 2016, 18, 1600 |
| 1540664 | CIF | C60 H88 N12 O18 Zn2 | P 1 21/c 1 | 19.5006; 20.5981; 18.7188 90; 116.064; 90 | 6754.2 | Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm, 2016, 18, 1600 |
| 1540665 | CIF | C22 H20 N4 O4 Zn | P b c a | 18.6866; 15.8553; 22.302 90; 90; 90 | 6607.7 | Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm, 2016, 18, 1600 |
| 1540666 | CIF | C37 H35 N4 O4 Zn | P 1 21/c 1 | 9.987; 22.605; 17.815 90; 121.513; 90 | 3429 | Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm, 2016, 18, 1600 |
| 1540667 | CIF | C60 H81 N9 O13 Zn2 | P 1 21/n 1 | 10.3361; 20.4349; 16.2418 90; 91.807; 90 | 3428.8 | Ju, Huiyeong; Park, In-Hyeok; Lee, Eunji; Kim, Seulgi; Jung, Jong Hwa; Ikeda, Mari; Habata, Yoichi; Lee, Shim Sung Guest-triggered assembly of zinc(ii) supramolecular isomers with accompanying dimensional change and reversible single-crystal-to-single-crystal transformation CrystEngComm, 2016, 18, 1600 |
| 1546484 | CIF | C22 H22 N2 O7 | P -1 | 10.443; 12.603; 17.396 110.9; 98.5; 90.185 | 2112 | Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340 |
| 1546485 | CIF | C14 H12 F N O3 | P -1 | 5.222; 8.817; 14.578 101.606; 94.434; 94.826 | 652.1 | Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340 |
| 1546486 | CIF | C17 H13 F N2 O2 | P 1 21/n 1 | 11.012; 4.0528; 32.335 90; 94.648; 90 | 1438.3 | Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340 |
| 1546487 | CIF | C8 H9 N3 O5 | P 1 21/c 1 | 8.084; 12.756; 9.49 90; 93.543; 90 | 976.7 | Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340 |
| 1546488 | CIF | C22 H22 N2 O5 | P 1 21/n 1 | 10.878; 12.704; 15.328 90; 107.034; 90 | 2025.3 | Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340 |
| 1546489 | CIF | C20 H16 N4 O9 | C 1 2/c 1 | 27.715; 7.0371; 21.947 90; 105.132; 90 | 4132 | Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340 |
| 1546490 | CIF | C13 H13 N3 O3 | P 1 21 1 | 10.479; 4.9873; 12.644 90; 109.361; 90 | 623.4 | Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340 |
| 1546491 | CIF | C15 H14 N4 O9 | P 1 21/n 1 | 11.8242; 10.035; 15.06 90; 104.953; 90 | 1726.4 | Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340 |
| 1546492 | CIF | C13 H11 F N2 O3 | P 1 21/c 1 | 13.629; 7.151; 13.651 90; 115.649; 90 | 1199 | Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340 |
| 1546493 | CIF | C21 H17 N3 O9 | P -1 | 7.988; 11.004; 12.725 73.939; 75.605; 89.042 | 1039.5 | Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340 |
| 1546494 | CIF | C13 H11 N3 O5 | P -1 | 7.1167; 7.559; 12.8081 85.164; 75.933; 85.895 | 665.04 | Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340 |
| 1546495 | CIF | C26 H22 N6 O10 | P 1 21/c 1 | 8.873; 34.245; 9.175 90; 105.942; 90 | 2680.7 | Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340 |
| 1546496 | CIF | C13 H13 N3 O3 | P 1 21/c 1 | 12.516; 10.899; 9.306 90; 95.296; 90 | 1264 | Wicker, Jerome G. P.; Crowley, Lorraine M.; Robshaw, Oliver; Little, Edmund J.; Stokes, Stephen P.; Cooper, Richard I.; Lawrence, Simon E. Will they co-crystallize? CrystEngComm, 2017, 19, 5336-5340 |
| 1546821 | CIF | C80 H154 Br6 Cu N8 O5 | P -1 | 9.4175; 17.1528; 28.9801 79.223; 89.723; 82.329 | 4556.6 | Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups CrystEngComm, 2017, 19, 5835-5843 |
| 1546822 | CIF | C80 H166 Br6 Cu2 N8 O12 | P 1 21/c 1 | 30.2435; 9.4252; 18.2742 90; 107.545; 90 | 4966.76 | Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups CrystEngComm, 2017, 19, 5835-5843 |
| 1546843 | CIF | C14 H13 N O6 Zn | P -1 | 8.233; 9.737; 10.4837 107.355; 101.071; 111.799 | 699.98 | Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties CrystEngComm, 2017, 19, 5755-5763 |
| 1546844 | CIF | C28 H24 Cl2 Mn3 N2 O11 | P b c a | 18.019; 7.671; 23.088 90; 90; 90 | 3191.3 | Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties CrystEngComm, 2017, 19, 5755-5763 |
| 1546845 | CIF | C28 H22 N4 Ni3 O16 | P 1 2/c 1 | 8.0042; 11.5133; 17.4969 90; 114.231; 90 | 1470.37 | Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties CrystEngComm, 2017, 19, 5755-5763 |
| 1546846 | CIF | C28 H22 Co3 N4 O16 | C 1 2/c 1 | 18.151; 11.5168; 15.9081 90; 117.996; 90 | 2936.3 | Liu, Feng; Gao, Wei; Zhang, Xiu-Mei; Liu, Jie-Ping; Gao, En-Qing Four coordination polymers based on dinuclear and trinuclear units with a new multifunctional pyridyl-dicarboxylate ligand: luminescence and magnetic properties CrystEngComm, 2017, 19, 5755-5763 |
| 1546847 | CIF | C32 H20 Cd Cl2 N8 O9 | C 1 2/c 1 | 26.783; 10.9091; 28.532 90; 145.631; 90 | 4706.1 | Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties CrystEngComm, 2017, 19, 5864-5872 |
| 1546848 | CIF | C16 H10 N6 O7 Zn | P b c a | 7.8558; 13.5861; 31.5006 90; 90; 90 | 3362 | Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties CrystEngComm, 2017, 19, 5864-5872 |
| 1546849 | CIF | C128 H80 Cu8 N48 O56 | P b c a | 7.838; 13.665; 30.941 90; 90; 90 | 3314 | Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties CrystEngComm, 2017, 19, 5864-5872 |
| 1546850 | CIF | C17 H11 Cd Cl3 N6 O7 | P 1 21/n 1 | 9.5455; 13.8394; 17.274 90; 102.492; 90 | 2227.94 | Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties CrystEngComm, 2017, 19, 5864-5872 |
| 1546851 | CIF | C16 H10 Cd N6 O7 | P 1 21/c 1 | 17.3051; 8.1682; 12.9742 90; 108.332; 90 | 1740.85 | Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties CrystEngComm, 2017, 19, 5864-5872 |
| 1546852 | CIF | C32 H20 Cl2 Cu N8 O10 | R -3 | 30.6123; 30.6123; 29.4707 90; 90; 120 | 23917.3 | Wu, Xiang-Wen; Pan, Feng; Zhang, Dong; Jin, Guo-Xia; Ma, Jian-Ping Self-assembly of new M( <scp>ii</scp> ) coordination polymers based on asymmetric 1,3,4-oxadiazole-containing ligands: effect of counterions and magnetic properties CrystEngComm, 2017, 19, 5864-5872 |
| 1549180 | CIF | C28 H24 N8 O6 Pb2 | P 1 21/c 1 | 7.4785; 21.4405; 9.022 90; 94.218; 90 | 1442.69 | Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations CrystEngComm, 2018, 20, 2812 |
| 1549181 | CIF | C16 H12 N6 O3 Pb2 S2 | P -1 | 8.5997; 10.9376; 11.7938 72.684; 80.451; 82.758 | 1040.9 | Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations CrystEngComm, 2018, 20, 2812 |
| 1549182 | CIF | C12 H10 I2 N4 O Pb | P -1 | 6.6742; 7.8985; 16.794 82.614; 81.44; 65.269 | 792.99 | Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations CrystEngComm, 2018, 20, 2812 |
| 1549183 | CIF | C28 H26 N10 O3 Pb S2 | P 1 21/c 1 | 15.4161; 13.7171; 14.9481 90; 94.944; 90 | 3149.23 | Mahmoudi, Ghodrat; Seth, Saikat Kumar; Bauzá, Antonio; Zubkov, Fedor I.; Gurbanov, Atash V.; White, Jonathan; Stilinović, Vladimir; Doert, Thomas; Frontera, Antonio Pb⋯X (X = N, S, I) tetrel bonding interactions in Pb(ii) complexes: X-ray characterization, Hirshfeld surfaces and DFT calculations CrystEngComm, 2018, 20, 2812 |
| 1549188 | CIF | C62 H4 Br2 Cl2 | P 6/m m m | 10.056; 10.056; 10.07 90; 90; 120 | 881.9 | Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2 CrystEngComm, 2018, 20, 2729 |
| 1549189 | CIF | C62 H4 Br2 Cl2 | C 1 2/m 1 | 9.9153; 17.412; 10.0478 90; 101.966; 90 | 1697 | Ye, Jin; Barrio, Maria; Céolin, René; Qureshi, Navid; Negrier, Philippe; Rietveld, Ivo B.; Tamarit, Josep Lluís An order‒disorder phase transition in the van der Waals based solvate of C60 and CClBrH2 CrystEngComm, 2018, 20, 2729 |
| 1549717 | CIF | C39.5 H48.9 N6.5 O16.2 Zn2 | C 1 2/c 1 | 25.386; 25.15; 17.6282 90; 114.178; 90 | 10268 | Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction CrystEngComm, 2018, 20, 6070 |
| 1549718 | CIF | C42.15 H54.35 Cd2 N6.05 O16.05 | C 1 2/c 1 | 26.4534; 24.3372; 17.6488 90; 109.622; 90 | 10702.5 | Zhang, Yiwen; Su, Kongzhao; Hao, Miao; Liu, Lin; Han, Zheng-Bo; Yuan, Daqiang Two metal‒organic frameworks based on pyridyl‒tricarboxylate ligands as size-selective catalysts for solvent-free cyanosilylation reaction CrystEngComm, 2018, 20, 6070 |
| 1551207 | CIF | C67 H117 N Si2 | C 1 2/c 1 | 34.673; 12.09; 17.728 90; 119.214; 90 | 6486.2 | Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage CrystEngComm, 2019, 21, 3910 |
| 1551208 | CIF | C19 H27 N Si2 | P 1 21/n 1 | 15.104; 6.317; 20.8662 90; 96.345; 90 | 1978.7 | Hashimoto, Hikaru; Inagaki, Yusuke; Momma, Hiroyuki; Kwon, Eunsang; Yamaguchi, Kentaro; Setaka, Wataru Polarized fluorescence of a crystal having uniaxially oriented molecules by a carbazole-diyl-bridged macrocage CrystEngComm, 2019, 21, 3910 |
| 1565076 | CIF | C49 H66 B4 O13 | P 4/n :2 | 18.5171; 18.5171; 7.067 90; 90; 90 | 2423.15 | Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton CrystEngComm, 2021, 23, 8169-8182 |
| 1565077 | CIF | C44 H60 B4 O13 S5 | P 4/n :2 | 18.8442; 18.8442; 7.0478 90; 90; 90 | 2502.7 | Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton CrystEngComm, 2021, 23, 8169-8182 |
| 1565078 | CIF | C38 H48 B4 O10 | P -4 | 11.2591; 11.2591; 7.1282 90; 90; 90 | 903.62 | Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton CrystEngComm, 2021, 23, 8169-8182 |
| 1565079 | CIF | C42 H54 B4 O13 | I 41/a :2 | 17.4201; 17.4201; 26.248 90; 90; 90 | 7965.2 | Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton CrystEngComm, 2021, 23, 8169-8182 |
| 1565080 | CIF | C43 H61.5 B4 N0.5 O12 S4 | P 4/n :2 | 18.7776; 18.7776; 7.0172 90; 90; 90 | 2474.25 | Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton CrystEngComm, 2021, 23, 8169-8182 |
| 1565081 | CIF | C19.5 H24 B2 N O4.5 | P 4/n :2 | 16.1648; 16.1648; 7.1212 90; 90; 90 | 1860.8 | Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton CrystEngComm, 2021, 23, 8169-8182 |
| 1565082 | CIF | C46 H63 B4 N4 O12 | C 1 2/c 1 | 30.202; 7.1631; 25.857 90; 117.95; 90 | 4941 | Drapała, Jakub; Marek-Urban, Paulina H.; Klimkowski, Piotr; Urbanowicz, Karolina A.; Gontarczyk, Krzysztof; Woźniak, Krzysztof; Luliński, Sergiusz; Durka, Krzysztof Design of solvatomorphic structures based on a polyboronated tetraphenyladamantane molecular tecton CrystEngComm, 2021, 23, 8169-8182 |
| 1566629 | CIF | C18 H26 Cd N4 O6 P2 S4 | P -1 | 7.2387; 9.6411; 10.4545 81.448; 75.399; 70.165 | 662.56 | Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T. Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide CrystEngComm, 2022, 24, 2992-3004 |
| 1566630 | CIF | C26 H42 Cd N4 O6 P2 S4 | P -1 | 9.9154; 12.3655; 15.4749 106.08; 99.172; 91.827 | 1794.03 | Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T. Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide CrystEngComm, 2022, 24, 2992-3004 |
| 1566631 | CIF | C22 H34 Cd N4 O6 P2 S4 | P -1 | 9.0611; 9.2065; 10.5703 82.436; 77.672; 64.113 | 774.27 | Tan, Yee Seng; Yeo, Chien Ing; Kwong, Huey Chong; Tiekink, Edward R. T. Unusual {⋯HNC <sub>2</sub> O⋯HC <sub> <i>n</i> </sub> O}, <i>n</i> = 1 or 2, synthons predominate in the molecular packing of one-dimensional coordination polymers, {Cd[S <sub>2</sub> P(OR) <sub>2</sub> ] <sub>2</sub> ( <sup>3</sup> LH <sub>2</sub> )} <sub> <i>n</i> </sub> , for R = Me and Et, but are precluded when R = i-Pr; <sup>3</sup> LH <sub>2</sub> = <i>N</i> , <i>N</i> ′-bis(3-pyridylmethyl)oxalamide CrystEngComm, 2022, 24, 2992-3004 |
| 1571179 | CIF | C53 H43 Fe O13 S32 | C 1 2/c 1 | 10.2478; 19.9069; 35.264 90; 94.106; 90 | 7175.5 | Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate CrystEngComm, 2024, 26, 1962-1975 |
| 1571180 | CIF | C52 H39 Fe O14 S32 | C 1 2/c 1 | 10.3279; 20.0206; 35.3409 90; 92.91; 90 | 7298 | Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate CrystEngComm, 2024, 26, 1962-1975 |
| 1571181 | CIF | C53 H41 Fe O14 S32 | P -1 | 10.2331; 11.1922; 35.2191 89.485; 86.524; 62.861 | 3582.2 | Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate CrystEngComm, 2024, 26, 1962-1975 |
| 1571182 | CIF | C56 H44 Fe O14 S40 | P -1 | 11.1233; 11.5487; 35.1801 89.381; 85.771; 69.934 | 4232.83 | Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate CrystEngComm, 2024, 26, 1962-1975 |
| 1571183 | CIF | C50 H37 Fe O12 S32 | P 1 2/n 1 | 24.9368; 19.4844; 31.8267 90; 108.849; 90 | 14634.6 | Blundell, Toby J.; Rusbridge, Elizabeth K.; Pemberton, Rebecca E.; Brannan, Michael J.; Morritt, Alexander L.; Ogar, Joseph O.; Wallis, John D.; Akutsu, Hiroki; Nakazawa, Yasuhiro; Imajo, Shusaku; Martin, Lee Introduction of new guest molecules into BEDT-TTF radical-cation salts with tris(oxalato)ferrate CrystEngComm, 2024, 26, 1962-1975 |
| 1572678 | CIF | Lu2 O6 Te | P 3 2 1 | 8.9459; 8.9459; 5.0618 90; 90; 120 | 350.819 | Cao, Tingting; Guo, Feifei; Hu, Fuai; Tao, Xutang; Gao, Zeliang Novel laser crystal Lu2TeO6: crystal growth, thermal properties, and spectral analysis CrystEngComm, 2024, 26, 5953-5959 |
| 1574143 | CIF | C28 H44 Cl N3 O6 | P 1 21/n 1 | 16.3631; 10.4157; 17.9697 90; 105.921; 90 | 2945.15 | Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer CrystEngComm, 2025, 27, 2317-2332 |
| 1574144 | CIF | C28 H40 Br N3 O4 | P 1 21/c 1 | 5.8177; 12.2664; 38.8851 90; 93.872; 90 | 2768.6 | Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer CrystEngComm, 2025, 27, 2317-2332 |
| 1574145 | CIF | C28 H41 N5 O10 | P 1 21/n 1 | 8.733; 10.044; 34.856 90; 94.022; 90 | 3049.8 | Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer CrystEngComm, 2025, 27, 2317-2332 |
| 1574146 | CIF | C30 H48 N3 O9 P | P -1 | 8.9527; 11.559; 16.499 100.869; 100.793; 97.455 | 1622.8 | Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer CrystEngComm, 2025, 27, 2317-2332 |
| 1574147 | CIF | C28 H46 Cl N3 O7 | P 1 21 1 | 9.2405; 12.572; 13.1588 90; 96.847; 90 | 1517.78 | Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer CrystEngComm, 2025, 27, 2317-2332 |
| 1574148 | CIF | C28 H47 N3 O15 S2 | P 1 21/c 1 | 11.8559; 34.775; 8.4372 90; 90.259; 90 | 3478.5 | Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer CrystEngComm, 2025, 27, 2317-2332 |
| 1574149 | CIF | C56 H84 Cl N6 O13 P | P -1 | 12.5749; 14.8653; 16.1941 82.653; 80.4795; 76.8419 | 2894.2 | Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer CrystEngComm, 2025, 27, 2317-2332 |
| 1574556 | CIF | C14 H9 N3 O6 Se | P 1 2/c 1 | 11.3555; 9.1502; 7.1692 90; 99.648; 90 | 734.38 | Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm, 2025, 27, 3439-3443 |
| 1574557 | CIF | C12 H8 N2 O4 S Se | P 1 21/c 1 | 3.8144; 22.357; 15.964 90; 93.581; 90 | 1358.7 | Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm, 2025, 27, 3439-3443 |
| 1574558 | CIF | C14 H9 Br N2 O4 Se | P 1 2/c 1 | 11.154; 9.184; 7.3865 90; 99.177; 90 | 747 | Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm, 2025, 27, 3439-3443 |
| 1574559 | CIF | C14 H11 N3 O4 Se | P 1 21/m 1 | 6.8417; 12.3348; 8.5209 90; 102.207; 90 | 702.83 | Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm, 2025, 27, 3439-3443 |
| 1574560 | CIF | C15 H12 N2 O4 Se | P 1 21/m 1 | 7.4596; 12.3445; 8.6525 90; 112.155; 90 | 737.94 | Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm, 2025, 27, 3439-3443 |
| 1574561 | CIF | C11 H6 Br N O4 Se0.5 | P 1 21/m 1 | 3.8992; 37.6399; 7.7471 90; 95.702; 90 | 1131.38 | Zhang, Yu; Sun, Xiaotian; Wang, Weizhou Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds CrystEngComm, 2025, 27, 3439-3443 |
| 1574562 | CIF | C24 H25 Cl N2 O7 | P 1 21/n 1 | 14.6695; 8.4232; 19.7536 90; 108.105; 90 | 2319.99 | Hirayama, Yuto; Ito, Akitaka; Ochi, Rika Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety CrystEngComm, 2025, 27, 3214-3218 |
| 1574563 | CIF | C49.75 H61.3 Cl3 K N4 O18.15 | P -1 | 12.0536; 14.4733; 17.464 90.685; 105.563; 108.209 | 2772.69 | Hirayama, Yuto; Ito, Akitaka; Ochi, Rika Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety CrystEngComm, 2025, 27, 3214-3218 |
| 1574564 | CIF | C48 H56 Cl3 K N4 O19.6 | P 1 21/n 1 | 15.1444; 23.9026; 15.8158 90; 103.663; 90 | 5563.2 | Hirayama, Yuto; Ito, Akitaka; Ochi, Rika Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety CrystEngComm, 2025, 27, 3214-3218 |
| 1575111 | CIF | C38 H62 N4 O15 Zn4 | C 1 c 1 | 12.6715; 14.3504; 14.5469 90; 114.102; 90 | 2414.6 | Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik The interplay between coordination and non-covalent interactions in three zinc coordination polymers CrystEngComm, 2025, 27, 5583-5594 |
| 1575112 | CIF | C18 H27 Br N2 O7 Zn2 | P 1 21/n 1 | 9.483; 19.78; 13.087 90; 108.89; 90 | 2322.6 | Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik The interplay between coordination and non-covalent interactions in three zinc coordination polymers CrystEngComm, 2025, 27, 5583-5594 |
| 1575113 | CIF | C18 H27 Cl N2 O7 Zn2 | P 1 21/n 1 | 9.4593; 19.398; 12.964 90; 108.532; 90 | 2255.4 | Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik The interplay between coordination and non-covalent interactions in three zinc coordination polymers CrystEngComm, 2025, 27, 5583-5594 |
| 1575258 | CIF | C28 H31 N O11 | P 1 21/c 1 | 10.507; 10.7999; 22.6843 90; 103.214; 90 | 2505.94 | Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar Influence of the crystallisation approach on multicomponent systems of palmatine chloride CrystEngComm, 2025, 27, 5901-5917 |
| 1575259 | CIF | C90 H80 N2 O21 S | P 1 21/c 1 | 24.428; 13.7192; 22.38 90; 90.459; 90 | 7500 | Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar Influence of the crystallisation approach on multicomponent systems of palmatine chloride CrystEngComm, 2025, 27, 5901-5917 |
| 1575260 | CIF | C28 H30 Cl N O9 | P 1 21/n 1 | 8.3964; 28.9669; 11.1056 90; 103.121; 90 | 2630.56 | Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar Influence of the crystallisation approach on multicomponent systems of palmatine chloride CrystEngComm, 2025, 27, 5901-5917 |
| 1575370 | CIF | C23 H32 F3 N5 O4 | P 21 21 21 | 9.6872; 15.0069; 18.0085 90; 90; 90 | 2618 | Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir CrystEngComm, 2025, 27, 6009-6018 |
| 1575371 | CIF | C23 H32 F3 N5 O4 | P 21 21 21 | 9.2453; 15.1879; 18.1544 90; 90; 90 | 2549.2 | Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir CrystEngComm, 2025, 27, 6009-6018 |
| 1575372 | CIF | C23 H32 F3 N5 O4 | P 21 21 21 | 9.2125; 15.0829; 18.0498 90; 90; 90 | 2508.04 | Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir CrystEngComm, 2025, 27, 6009-6018 |
| 1575373 | CIF | C23 H32 F3 N5 O4 | P 21 21 21 | 9.6828; 15.0274; 18.0229 90; 90; 90 | 2622.5 | Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir CrystEngComm, 2025, 27, 6009-6018 |
| 1575374 | CIF | C23 H32 F3 N5 O4 | P 21 21 21 | 9.2308; 15.1453; 18.117 90; 90; 90 | 2532.8 | Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir CrystEngComm, 2025, 27, 6009-6018 |
| 1575375 | CIF | C221 H233 Co12 N23 O79 | P 1 21/c 1 | 25.5409; 13.6195; 17.9158 90; 91.346; 90 | 6230.4 | Singh, Reetika; Singh, Udai P.; Verma, Pankaj; Kashyap, Sujata; Butcher, Ray J.; Ghosh, Chandrachur; Roy, Partha Co/Zn metal–organic frameworks with an anthracene-based ligand: cell imaging and catalytic studies CrystEngComm, 2025, 27, 5714-5734 |
| 1575376 | CIF | C60 H62 N6 O18 Zn3 | P 1 21/n 1 | 16.284; 15.365; 25.03 90; 104.932; 90 | 6051.1 | Singh, Reetika; Singh, Udai P.; Verma, Pankaj; Kashyap, Sujata; Butcher, Ray J.; Ghosh, Chandrachur; Roy, Partha Co/Zn metal–organic frameworks with an anthracene-based ligand: cell imaging and catalytic studies CrystEngComm, 2025, 27, 5714-5734 |
| 1575411 | CIF | C24.4 H13.6 Cl0.8 F4.8 P0.8 S2 | P -1 | 13.6984; 13.7841; 14.6009 85.913; 71.484; 79.521 | 2570.36 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575412 | CIF | C24.4 H13.6 Cl0.8 F4.8 P0.79 S2 | P -1 | 13.754; 13.8852; 14.6689 71.394; 86.012; 79.459 | 2610.01 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575413 | CIF | C26 H15.33 Cl1.33 O2.67 S2 | P -1 | 10.363; 10.4488; 15.7822 101.434; 108.011; 101.058 | 1533.07 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575414 | CIF | C24.4 H14 Br0.4 F4.8 P0.8 S2 | P -1 | 13.6133; 14.2244; 14.7406 70.481; 86.305; 79.14 | 2642.16 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575415 | CIF | C26 H15.33 Cl1.33 O2.67 S2 | P -1 | 10.4433; 10.5181; 15.794 101.595; 107.772; 101.056 | 1557.65 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575416 | CIF | C24.4 H14 As0.8 Cl0.4 F4.8 S2 | P -1 | 13.6644; 13.9317; 14.6414 70.477; 85.804; 78.781 | 2576.71 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575417 | CIF | C61 H35 Br F12 P2 S5 | P -1 | 13.5769; 14.0578; 14.6788 70.715; 85.976; 79.057 | 2596.24 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575418 | CIF | C24.4 H14 Br0.4 F4.8 P0.8 S2 | P -1 | 13.5317; 13.9267; 14.6385 70.766; 85.742; 79.027 | 2556.85 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575419 | CIF | C26 H15.33 Cl1.33 O2.67 S2 | P -1 | 10.5374; 10.58339; 15.829 101.905; 107.322; 101.385 | 1584.41 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575420 | CIF | C26 H15.33 Cl0.67 F4 P0.67 S2 | P -1 | 10.5925; 10.7783; 15.8611 103.313; 105.912; 102.66 | 1615.72 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575421 | CIF | C26 H15.33 Cl0.67 F4 P0.67 S2 | P -1 | 10.5204; 10.7353; 15.743 103.036; 105.912; 102.613 | 1589.57 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575422 | CIF | C26 H15.33 Cl0.67 F4 P0.67 S2 | P -1 | 10.6725; 10.8448; 15.9759 103.766; 105.661; 103.1 | 1643.51 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575423 | CIF | C24.4 H14 As0.8 Cl0.4 F4.8 S2 | P -1 | 13.6803; 14.078; 14.7274 70.167; 85.807; 78.842 | 2617.61 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575424 | CIF | C24.4 H14 As0.8 Cl0.4 F4.8 S2 | P -1 | 13.6804; 14.2592; 14.8005 69.962; 85.719; 78.822 | 2660.82 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575425 | CIF | C24.4 H13.56 Cl0.8 F4.8 P0.8 S2 | P -1 | 13.7529; 14.0651; 14.7342 71.18; 86.156; 79.453 | 2652.07 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575426 | CIF | C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 | P -1 | 14.7753; 17.2538; 21.4333 89.627; 73.391; 84.665 | 5212.2 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575427 | CIF | C122 H70 Cl2 F24 S10 Sb4 | P -1 | 14.8806; 17.3774; 21.5631 88.976; 72.889; 84.464 | 5303.93 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575428 | CIF | C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 | P -1 | 14.9609; 17.5144; 21.7009 88.523; 72.579; 84.107 | 5396.74 | Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties CrystEngComm, 2025, 27, 6333-6340 |
| 1575429 | CIF | C40 H28 N2 O4 | P -1 | 6.8429; 12.8769; 17.6451 106.325; 99.108; 96.639 | 1452.1 | Feiler, Torvid; Emmerling, Franziska; Bhattacharya, Biswajit Sustainable mechanochemical approach for the selective synthesis of multicomponent organic solids: real-time in situ insights CrystEngComm, 2025, 27, 6184-6192 |
| 1575430 | CIF | C20 H14 N O2 | C 1 2/c 1 | 23.3375; 10.3912; 12.0372 90; 95.933; 90 | 2903.4 | Feiler, Torvid; Emmerling, Franziska; Bhattacharya, Biswajit Sustainable mechanochemical approach for the selective synthesis of multicomponent organic solids: real-time in situ insights CrystEngComm, 2025, 27, 6184-6192 |
| 1575431 | CIF | C40 H26 F2 N3 | P -1 | 8.7484; 13.5215; 13.7453 73.799; 75.94; 81.67 | 1509.4 | Usman, Rabia; Jiang, Zhouyu; Kuznetsov, Aleksey; Henidi, Hanan A.; Altamimi, Abeer A.; Bin-Jumah, May Nasser; Alghamdi, Mutaz; Khan, Arshad Donor–acceptor architecture dictates emission properties: enhanced solid-state fluorescence in carbazole-based charge transfer cocrystals CrystEngComm, 2025, 27, 6303-6313 |
| 1575432 | CIF | C27 H15 F4 N3 | C 1 2/c 1 | 15.571; 12.724; 13.505 90; 125.2; 90 | 2186 | Usman, Rabia; Jiang, Zhouyu; Kuznetsov, Aleksey; Henidi, Hanan A.; Altamimi, Abeer A.; Bin-Jumah, May Nasser; Alghamdi, Mutaz; Khan, Arshad Donor–acceptor architecture dictates emission properties: enhanced solid-state fluorescence in carbazole-based charge transfer cocrystals CrystEngComm, 2025, 27, 6303-6313 |
| 1575493 | CIF | C22 H17 I5 N2 S2 | C 1 2/c 1 | 13.1949; 10.1933; 17.92 90; 101.678; 90 | 2360.3 | Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V. Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties CrystEngComm, 2025, 27, 6283-6294 |
| 1575494 | CIF | C22 H17 I5 N2 S2 | C 1 2/c 1 | 13.1052; 10.1023; 17.643 90; 102; 90 | 2284.8 | Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V. Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties CrystEngComm, 2025, 27, 6283-6294 |
| 1575495 | CIF | C22 H17 I5 N2 S2 | C 1 2/c 1 | 13.2397; 10.27; 18.056 90; 101.603; 90 | 2404.9 | Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V. Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties CrystEngComm, 2025, 27, 6283-6294 |
| 1575496 | CIF | C22 H18 I5 N2 S2 | C 1 2/c 1 | 13.3167; 11.0072; 18.382 90; 98.32; 90 | 2666.1 | Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V. Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties CrystEngComm, 2025, 27, 6283-6294 |
| 1575497 | CIF | C22 H17 I5 N2 S2 | C 1 2/c 1 | 13.1291; 10.7512; 17.97 90; 99.674; 90 | 2500.5 | Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V. Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties CrystEngComm, 2025, 27, 6283-6294 |
| 1575498 | CIF | C22 H17 I5 N2 S2 | C 1 2/c 1 | 13.1989; 10.8516; 18.127 90; 98.788; 90 | 2565.8 | Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V. Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties CrystEngComm, 2025, 27, 6283-6294 |
| 1575499 | CIF | C26 H18 N4 O9 | P 1 21/c 1 | 8.7103; 7.0222; 38.587 90; 93.329; 90 | 2356.2 | Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective CrystEngComm, 2025, 27, 5971-5982 |
| 1575500 | CIF | C46 H33 N5 O12 | P -1 | 10.0194; 10.189; 10.6551 98.069; 92.813; 108.239 | 1017.86 | Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective CrystEngComm, 2025, 27, 5971-5982 |
| 1575501 | CIF | C26 H18 N4 O9 | P 1 21/c 1 | 12.7283; 24.2867; 7.7022 90; 101.17; 90 | 2335.9 | Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective CrystEngComm, 2025, 27, 5971-5982 |
| 1575502 | CIF | C26 H18 N4 O9 | P 1 21/n 1 | 12.7859; 7.2453; 25.434 90; 98.451; 90 | 2330.6 | Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective CrystEngComm, 2025, 27, 5971-5982 |
| 1575622 | CIF | C46 H48 N4 O10 Zn | P 1 21/n 1 | 11.6044; 10.6205; 17.1687 90; 92.03; 90 | 2114.62 | Hossain, Ersad; Sk, Ramjan; Layek, Animesh; Pramanik, Samit; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata Effect of π⋯π interactions on the conductivity of two 1D coordination polymers through one-pot crystallization CrystEngComm, 2025, 27, 6630-6638 |
| 1575623 | CIF | C46 H44 N4 O8 Zn | P 1 21/n 1 | 15.6121; 7.9358; 17.1539 90; 96.681; 90 | 2110.84 | Hossain, Ersad; Sk, Ramjan; Layek, Animesh; Pramanik, Samit; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata Effect of π⋯π interactions on the conductivity of two 1D coordination polymers through one-pot crystallization CrystEngComm, 2025, 27, 6630-6638 |
| 1575681 | CIF | C12 H24 I6 N2 O2 Pb2 | C 1 2/c 1 | 45.752; 8.828; 8.837 90; 99.73; 90 | 3517.9 | Jung, Mi-Hee Near-infrared light emitting diodes based on an oxygen moiety containing 2D Ruddlesden–Popper perovskites CrystEngComm, 2025, 27, 6660-6671 |
| 1575682 | CIF | C30 H78 I21 N6 O6 Pb6 | P n m a | 21.235; 54; 8.744 90; 90; 90 | 10027 | Jung, Mi-Hee Near-infrared light emitting diodes based on an oxygen moiety containing 2D Ruddlesden–Popper perovskites CrystEngComm, 2025, 27, 6660-6671 |
| 1575742 | CIF | C101 H132.56 N12 O40.28 S6 | P -1 | 12.3629; 16.5072; 28.5794 85.914; 85.67; 74.715 | 5602 | Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes CrystEngComm, 2025, 27, 6611-6622 |
| 1575743 | CIF | C72 H96 N8 O28 S4 | I 1 2/a 1 | 25.024; 13.519; 24.37 90; 108.954; 90 | 7797 | Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes CrystEngComm, 2025, 27, 6611-6622 |
| 1575744 | CIF | C270 H412 N32 O136 S16 | C 1 2/c 1 | 34.1908; 41.4283; 46.991 90; 95.325; 90 | 66274 | Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes CrystEngComm, 2025, 27, 6611-6622 |
| 1575745 | CIF | C216 H286 N24 O77 S12 | P 1 21/c 1 | 23.6106; 30.3731; 31.5092 90; 91.424; 90 | 22589.1 | Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes CrystEngComm, 2025, 27, 6611-6622 |
| 1575746 | CIF | C270 H380.48 N32 O120.24 S16 | C 1 2/c 1 | 34.1908; 41.4283; 46.991 90; 95.325; 90 | 66274 | Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes CrystEngComm, 2025, 27, 6611-6622 |
| 1575747 | CIF | C269 H376.42 N32 O119.22 S16 | C 1 2/c 1 | 33.9061; 41.7359; 46.4819 90; 94.332; 90 | 65588.7 | Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes CrystEngComm, 2025, 27, 6611-6622 |
| 1575748 | CIF | C268 H396.58 N32 O130.29 S16 | C 1 2/c 1 | 33.9061; 41.7359; 46.4819 90; 94.332; 90 | 65588.7 | Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes CrystEngComm, 2025, 27, 6611-6622 |
| 1575749 | CIF | C66 H58 Cd2 N9 O18 P3 | P 1 21 1 | 10.873; 9.425; 34.44 90; 90.06; 90 | 3529 | Özcan, Elif; Zorlu, Yunus Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity CrystEngComm, 2025, 27, 6913-6925 |
| 1575750 | CIF | C52 H44 N3 O22 P3 | C 1 2 1 | 19.246; 15.706; 19.572 90; 90.189; 90 | 5916.1 | Özcan, Elif; Zorlu, Yunus Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity CrystEngComm, 2025, 27, 6913-6925 |
| 1575751 | CIF | C77 H71 Cd2 N10 O20 P3 | P -1 | 12.229; 17.228; 19.403 75.499; 78.521; 84.495 | 3874 | Özcan, Elif; Zorlu, Yunus Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity CrystEngComm, 2025, 27, 6913-6925 |
| 1575752 | CIF | C51 H74 Cl2 N4 O2 | P -1 | 12.6939; 13.0267; 18.5039 84.192; 76.836; 61.861 | 2627.18 | Juma, David O.; Zamisa, Sizwe J.; Sharma, Anamika; Bongoza, Unathi; Njogu, Eric M.; Albericio, Fernando; Omondi, Bernard Computational and structural insights into the zwitterionic and neutral forms of N-substituted hydroxyformamidines in the solid state CrystEngComm, 2025, 27, 6508-6522 |
| 1575753 | CIF | C13 H8 F4 N2 O | P 1 21/n 1 | 7.576; 23.9624; 13.8352 90; 100.932; 90 | 2466.05 | Juma, David O.; Zamisa, Sizwe J.; Sharma, Anamika; Bongoza, Unathi; Njogu, Eric M.; Albericio, Fernando; Omondi, Bernard Computational and structural insights into the zwitterionic and neutral forms of N-substituted hydroxyformamidines in the solid state CrystEngComm, 2025, 27, 6508-6522 |
| 3000424 | CIF | C6 H8 N3 O2 | P 1 21/c 1 | 10.759; 5.2; 12.76 90; 90.67; 90 | 713.832 | Sasaki, Toshiyuki; Nakane, Takanori; Kawamoto, Akihiro; Nishizawa, Tomohiro; Kurisu, Genji Microcrystal electron diffraction (MicroED) structure determination of a mechanochemically synthesized co-crystal not affordable from solution crystallization CrystEngComm, 2023 |
| 7200143 | CIF | ? | P 1 | 13.7323; 13.655; 13.8872 91.2324; 105.339; 135.775 | 1663.08 | Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding CrystEngComm, 2009, 11, 2268 |
| 7200144 | CIF | ? | P 1 | 16.6271; 16.6548; 16.7851 109.485; 109.441; 108.625 | 3615.54 | Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding CrystEngComm, 2009, 11, 2268 |
| 7200145 | CIF | ? | P 1 | 26.8755; 26.9156; 16.5745 90.0223; 89.9957; 119.88 | 10395.7 | Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding CrystEngComm, 2009, 11, 2268 |
| 7200146 | CIF | ? | P 1 | 18.5541; 18.5075; 18.6002 60.4969; 60.5442; 60.3932 | 4565.17 | Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding CrystEngComm, 2009, 11, 2268 |
| 7200147 | CIF | ? | P 1 | 18.8838; 18.9879; 26.3157 45.7259; 46.089; 83.987 | 3297.57 | Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding CrystEngComm, 2009, 11, 2268 |
| 7200148 | CIF | ? | P 1 | 23.764; 23.7638; 23.7639 118.093; 118.093; 118.093 | 4761.33 | Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding CrystEngComm, 2009, 11, 2268 |
| 7200149 | CIF | C5 H12 Nd O10 | F d d d :2 | 9.625; 15.381; 27.53 90; 90; 90 | 4076 | Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice CrystEngComm, 2009, 11, 351 |
| 7200150 | CIF | C5 H6 Gd Na O10 | P 1 21/c 1 | 6.2366; 9.4082; 15.699 90; 93.103; 90 | 919.8 | Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice CrystEngComm, 2009, 11, 351 |
| 7200151 | CIF | C5 H6 Eu Na O10 | P 1 21/c 1 | 6.2755; 9.4656; 15.795 90; 93.158; 90 | 936.8 | Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice CrystEngComm, 2009, 11, 351 |
| 7200152 | CIF | C5 H6 Na Nd O10 | P 1 21/c 1 | 6.3; 9.5; 16.06 90; 92.978; 90 | 959.9 | Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice CrystEngComm, 2009, 11, 351 |
| 7200153 | CIF | C5 H6 N0 Na O10 Tb | P 1 21/c 1 | 6.21; 9.381; 15.633 90; 93.053; 90 | 909.4 | Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice CrystEngComm, 2009, 11, 351 |
| 7200154 | CIF | C40 H26 N4 O12 S Zn2 | P 1 21/m 1 | 5.805; 26.19; 12.117 90; 91.596; 90 | 1841 | Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties CrystEngComm, 2009, 11, 643 |
| 7200155 | CIF | C43 H26 F6 N4 O10 Zn2 | P 1 21/n 1 | 12.6202; 13.3522; 24.748 90; 97.028; 90 | 4138.9 | Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties CrystEngComm, 2009, 11, 643 |
| 7200156 | CIF | C93 H50 Cu3 F18 N6 O25 | P 1 21/n 1 | 23.337; 13.429; 29.654 90; 108.503; 90 | 8812.9 | Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties CrystEngComm, 2009, 11, 643 |
| 7200157 | CIF | C29 H19.08 Cu F6 N2 O9.54 | P 21 21 21 | 7.6241; 15.4069; 25.531 90; 90; 90 | 2999 | Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties CrystEngComm, 2009, 11, 643 |
| 7200158 | CIF | C31 H23.4 Cu2 N3 O12.7 S | F d d 2 | 19.1842; 43.462; 15.4484 90; 90; 90 | 12881 | Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties CrystEngComm, 2009, 11, 643 |
| 7200159 | CIF | C36 H38 N4 O18 S Zn2 | C 1 2/c 1 | 19.619; 15.5116; 13.2862 90; 94.343; 90 | 4031.7 | Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties CrystEngComm, 2009, 11, 643 |
| 7200160 | CIF | C74 H66 Cd9 N2 O52 | P -1 | 10.6423; 12.354; 16.323 79.113; 79.926; 83.023 | 2066.3 | Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties CrystEngComm, 2009, 11, 122 |
| 7200161 | CIF | C28 H24 Cd2 N2 O11 | P -1 | 10.2134; 11.704; 12.3421 79.72; 79.268; 72.608 | 1371.35 | Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties CrystEngComm, 2009, 11, 122 |
| 7200162 | CIF | C45 H35 Cd4 N2 O21 | P -1 | 10.1503; 15.0272; 16.7597 66.575; 77.358; 81.22 | 2282.6 | Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties CrystEngComm, 2009, 11, 122 |
| 7200163 | CIF | C30 H22 Cd2 N4 O9 | P -1 | 10.0622; 11.1733; 13.245 89.417; 75.185; 76.937 | 1400.56 | Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties CrystEngComm, 2009, 11, 122 |
| 7200164 | CIF | C15 H16 O S | P 1 21/c 1 | 8.9463; 12.335; 12.338 90; 105.704; 90 | 1310.7 | Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N. Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs CrystEngComm, 2009, 11, 284-291 |
| 7200165 | CIF | C16 H12 O S | P -1 | 7.4622; 12.2143; 14.4832 81.027; 83.319; 85.407 | 1292.5 | Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N. Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs CrystEngComm, 2009, 11, 284-291 |
| 7200166 | CIF | C16 H12 O2 S | P 1 21/c 1 | 7.5948; 10.988; 15.526 90; 96.149; 90 | 1288.2 | Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N. Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs CrystEngComm, 2009, 11, 284-291 |
| 7200167 | CIF | C13 H8 O2 S | P 21 21 21 | 4.0478; 13.5257; 19.18 90; 90; 90 | 1050.1 | Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N. Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs CrystEngComm, 2009, 11, 284-291 |
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