Crystallography Open Database
Search results
Result: there are 2004 entries in the selection
Switch to the old layout of the pageDownload all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)
Searching journal of publication like 'CrystEngComm' volume of publication is 18
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7223867 | CIF | C24 H54 Co6 F12 N8 O43 | I 41/a m d | 17.726; 17.726; 38.491 90; 90; 90 | 12094 | Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zeng, Rong-Hua; Zhang, Wei-Guang Two new three-dimensional metal‒organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units CrystEngComm, 2016, 18, 1174 |
| 7223868 | CIF | C42 H24 F18 Mn7 N15 O24 | I -4 3 d | 32.9672; 32.9672; 32.9672 90; 90; 90 | 35829.9 | Cai, Song-Liang; Zheng, Sheng-Run; Fan, Jun; Zeng, Rong-Hua; Zhang, Wei-Guang Two new three-dimensional metal‒organic frameworks with 4-connected diamondoid and unusual (6,16)-connected net topologies based on planar tetranuclear squares as secondary building units CrystEngComm, 2016, 18, 1174 |
| 7223869 | CIF | C72 H62 Co4.5 N34 O12 W3 | P 1 21/c 1 | 20.2531; 19.4998; 29.3833 90; 122.99; 90 | 9733.4 | Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets CrystEngComm, 2016, 18, 1495 |
| 7223870 | CIF | C164.5 H169.5 Co9 N72.5 O28.5 W6 | P -1 | 19.0923; 20.3195; 31.5482 72.427; 77.063; 68.621 | 10775.3 | Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets CrystEngComm, 2016, 18, 1495 |
| 7223871 | CIF | C165 H164.5 Co9 N69.5 O24 W6 | C 1 c 1 | 19.4379; 35.2593; 30.9195 90; 91.67; 90 | 21182.2 | Chorazy, Szymon; Hoczek, Anna; Kubicki, Maciej; Tokoro, Hiroko; Ohkoshi, Shin-ichi; Sieklucka, Barbara; Podgajny, Robert The solvent effect on the structural and magnetic features of bidentate ligand-capped {CoII9[WV(CN)8]6} single-molecule magnets CrystEngComm, 2016, 18, 1495 |
| 7223876 | CIF | C23 H27 Cl2 N3 O2 | P 1 21/n 1 | 16.6133; 6.9533; 19.4632 90; 106.99; 90 | 2150.2 | Zeidan, T. A.; Trotta, J. T.; Tilak, P. A.; Oliveira, M. A.; Chiarella, R. A.; Foxman, B. M.; Almarsson, Ö.; Hickey, M. B. An unprecedented case of dodecamorphism: the twelfth polymorph of aripiprazole formed by seeding with its active metabolite CrystEngComm, 2016, 18, 1486 |
| 7223877 | CIF | C24.5 H30.5 Cl2 N3 O2.5 | P -1 | 7.7282; 10.7005; 15.4954 83.863; 78.191; 73.576 | 1201.46 | Zeidan, T. A.; Trotta, J. T.; Tilak, P. A.; Oliveira, M. A.; Chiarella, R. A.; Foxman, B. M.; Almarsson, Ö.; Hickey, M. B. An unprecedented case of dodecamorphism: the twelfth polymorph of aripiprazole formed by seeding with its active metabolite CrystEngComm, 2016, 18, 1486 |
| 7223878 | CIF | C30 H12 N6 O3 | C 1 2/c 1 | 14.4563; 24.746; 14.626 90; 112.294; 90 | 4841.1 | Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations CrystEngComm, 2016, 18, 1416 |
| 7223879 | CIF | C22 H10 N4 O2 | P -1 | 8.0768; 8.5809; 13.4764 74.672; 88.214; 77.262 | 878.24 | Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations CrystEngComm, 2016, 18, 1416 |
| 7223880 | CIF | C30 H26 N4 O2 | P 1 21/n 1 | 10.2611; 13.4117; 18.9648 90; 101.601; 90 | 2556.6 | Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations CrystEngComm, 2016, 18, 1416 |
| 7223881 | CIF | C22 H10 N4 O2 | P n a 21 | 20.9421; 5.0644; 32.897 90; 90; 90 | 3489 | Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations CrystEngComm, 2016, 18, 1416 |
| 7223882 | CIF | C22 H10 N4 O2 | C 1 2/c 1 | 13.7511; 7.3953; 17.5013 90; 91.983; 90 | 1778.7 | Köç, Muzaffer; Zorlu, Yunus; İşci, Ümit; Berber, Savaş; Ahsen, Vefa; Dumoulin, Fabienne A library of dimeric and trimeric phthalonitriles linked by a single aromatic ring: comparative structural and DFT investigations CrystEngComm, 2016, 18, 1416 |
| 7223893 | CIF | C36 H35 La N4 O13 | P -1 | 9.8229; 11.4914; 16.3886 94.801; 103.133; 97.661 | 1772.97 | Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L. Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction CrystEngComm, 2016, 18, 1337 |
| 7223894 | CIF | C36 H35 Ce N4 O13 | P -1 | 9.8826; 11.5594; 16.3655 94.257; 103.951; 97.86 | 1786.14 | Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L. Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction CrystEngComm, 2016, 18, 1337 |
| 7223895 | CIF | C31 H43 La N6 O14 | I a -3 | 27.0059; 27.0059; 27.0059 90; 90; 90 | 19695.9 | Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L. Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction CrystEngComm, 2016, 18, 1337 |
| 7223896 | CIF | C29 H36 Ce N5 O13 | I a -3 | 26.921; 26.921; 26.921 90; 90; 90 | 19511 | Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L. Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction CrystEngComm, 2016, 18, 1337 |
| 7223897 | CIF | C23 H24 N5 O13 Sm | I a -3 | 26.681; 26.681; 26.681 90; 90; 90 | 18994 | Karmakar, Anirban; Hazra, Susanta; Guedes da Silva, M. Fátima C.; Paul, Anup; Pombeiro, Armando J. L. Nanoporous lanthanide metal‒organic frameworks as efficient heterogeneous catalysts for the Henry reaction CrystEngComm, 2016, 18, 1337 |
| 7223898 | CIF | C33 H43 N8 O13.17 Sm | R -3 :H | 25.917; 25.917; 30.915 90; 90; 120 | 17983 | Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly CrystEngComm, 2016, 18, 872 |
| 7223899 | CIF | C30.33 H36.53 N7 O12.5 Sm | R -3 :H | 25.758; 25.758; 30.055 90; 90; 120 | 17269 | Masuya-Suzuki, Atsuko; Matsubara, Nozomi; Karashimada, Ryunosuke; Hoshino, Hitoshi; Iki, Nobuhiko Topological modulation of the porous structure of a coordination polymer constructed from a flexible building block via framework‒guest interaction during self-assembly CrystEngComm, 2016, 18, 872 |
| 7223915 | CIF | C32 H42 Cu2 N20 O13 | I 1 2/a 1 | 8.2134; 16.974; 19.396 90; 101.13; 90 | 2653.2 | Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand CrystEngComm, 2016, 18, 1350 |
| 7223916 | CIF | C16 H16 Co N10 O4 | P 1 21/c 1 | 4.8427; 9.4938; 20.097 90; 92.37; 90 | 923.2 | Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand CrystEngComm, 2016, 18, 1350 |
| 7223917 | CIF | C16 H16 Mn N10 O4 | P 1 21/c 1 | 4.914; 9.3923; 20.417 90; 92.66; 90 | 941.3 | Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand CrystEngComm, 2016, 18, 1350 |
| 7223918 | CIF | C16 H16 Cd N10 O4 | P 1 21/c 1 | 4.9534; 9.1796; 20.865 90; 93.9; 90 | 946.5 | Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand CrystEngComm, 2016, 18, 1350 |
| 7223919 | CIF | C16 H16 N10 O4 Pb | P c c n | 10.487; 23.35; 8.3772 90; 90; 90 | 2051.3 | Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand CrystEngComm, 2016, 18, 1350 |
| 7223920 | CIF | C16 H28 Co N10 O10 | P -1 | 7.7702; 9.0412; 9.2461 94.47; 107.46; 95.08 | 613.5 | Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand CrystEngComm, 2016, 18, 1350 |
| 7223921 | CIF | C16 H28 Mn N10 O10 | P -1 | 7.8231; 9.0961; 9.2962 94.66; 107.53; 95.54 | 623.6 | Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand CrystEngComm, 2016, 18, 1350 |
| 7223922 | CIF | C16 H28 N10 Ni O10 | P -1 | 7.7318; 8.9961; 9.1815 94.4; 107.22; 95.01 | 604.1 | Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand CrystEngComm, 2016, 18, 1350 |
| 7223923 | CIF | C16 H28 N10 O10 Zn | P -1 | 7.7881; 9.038; 9.1899 94.47; 107.49; 95.27 | 610.5 | Yu, Tiantian; Wang, Shimin; Li, Xuemin; Gao, Xiaoli; Zhou, Chunlin; Cheng, Jiajia; Li, Baojun; Li, Jinpeng; Chang, Junbiao; Hou, Hongwei; Liu, Zhongyi Roles of temperature, solvent, M/L ratios and anion in preparing complexes containing a Himta ligand CrystEngComm, 2016, 18, 1350 |
| 7223924 | CIF | C62 H46 N14 O14 Zn2 | C 1 2/c 1 | 30.8851; 17.4665; 20.3272 90; 127.705; 90 | 8675.7 | Zhang, Le; Feng, Xue Feng; Meng, Pan Pan; Gong, Le Le; Luo, Feng Thermodynamically stable MOF showing a highly rare four-connectedhxg-d-4-Cccmnet with self-penetration, polyrotaxane, and polycatenane multi-features CrystEngComm, 2016, 18, 1693 |
| 7223925 | CIF | C31 H21 N7 O6 Zn | P -1 | 10.882; 11.386; 20.627 100.75; 103.307; 103.024 | 2345.3 | Zhang, Le; Feng, Xue Feng; Meng, Pan Pan; Gong, Le Le; Luo, Feng Thermodynamically stable MOF showing a highly rare four-connectedhxg-d-4-Cccmnet with self-penetration, polyrotaxane, and polycatenane multi-features CrystEngComm, 2016, 18, 1693 |
| 7223926 | CIF | C28 H28 Cu2 Dy N5 O20 | P -1 | 9.672; 13.729; 13.997 94.881; 102.916; 101.498 | 1758.8 | Gawai, U. P.; Khawal, H. A.; Shripathi, T.; Dole, B. N. A study on the synthesis, pair distribution function and diverse properties of cobalt doped ZnS nanowires CrystEngComm, 2016, 18, 1439 |
| 7223939 | CIF | C3 H7 N O2 | P 21 21 21 | 5.779; 6.031; 12.318 90; 90; 90 | 429.3 | Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer CrystEngComm, 2016, 18, 2404 |
| 7223940 | CIF | C3 H7 N O2 | P 21 21 21 | 5.7772; 6.035; 12.316 90; 90; 90 | 429.4 | Tsuboi, Chiaki; Aburaya, Kazuaki; Kimura, Fumiko; Maeyama, Masataka; Kimura, Tsunehisa Single-crystal structure determination from microcrystalline powders (σim 5 μm) by an orientation attachment mountable on an in-house X-ray diffractometer CrystEngComm, 2016, 18, 2404 |
| 7223958 | CIF | C11 H5 F5 I N | P 1 21/c 1 | 11.9726; 9.2769; 11.5812 90; 112.372; 90 | 1189.49 | Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors CrystEngComm, 2016, 18, 2247 |
| 7223959 | CIF | C12 H7 F5 I N | P 1 21/n 1 | 8.0031; 12.031; 13.4501 90; 100.731; 90 | 1272.4 | Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors CrystEngComm, 2016, 18, 2247 |
| 7223960 | CIF | C11 H5 Br F5 N | P 1 21/c 1 | 8.8544; 9.3356; 14.0154 90; 101.478; 90 | 1135.36 | Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors CrystEngComm, 2016, 18, 2247 |
| 7223961 | CIF | C9 H8 F5 I N | P 1 21/n 1 | 11.7434; 5.8599; 16.7329 90; 99.173; 90 | 1136.75 | Vasylyeva, Vera; Catalano, Luca; Nervi, Carlo; Gobetto, Roberto; Metrangolo, Pierangelo; Resnati, Giuseppe Characteristic redshift and intensity enhancement as far-IR fingerprints of the halogen bond involving aromatic donors CrystEngComm, 2016, 18, 2247 |
| 7223962 | CIF | C10 H21 N5 Na O11 P | P 21 21 21 | 6.5585; 7.047; 38.869 90; 90; 90 | 1796.4 | Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents CrystEngComm, 2016, 18, 1699 |
| 7223963 | CIF | C11 H21 N5 Na O10 P | P 21 21 21 | 6.5021; 7.0943; 39.198 90; 90; 90 | 1808.1 | Yang, Pengpeng; Lin, Chenguang; Zhuang, Wei; Wen, Qingshi; Zou, Fengxia; Zhou, Jingwei; Wu, Jinglan; Ying, Hanjie Insight into a direct solid‒solid transformation: a potential approach for the removal of residual solvents CrystEngComm, 2016, 18, 1699 |
| 7223964 | CIF | C6 H6 O6 U | P n n m | 13.314; 9.7055; 7.0691 90; 90; 90 | 913.46 | Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N. Structural diversity of uranyl acrylates CrystEngComm, 2016, 18, 1723 |
| 7223965 | CIF | C6 H10.44 O8.22 U | R -3 :H | 19.5621; 19.5621; 8.7321 90; 90; 120 | 2893.9 | Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N. Structural diversity of uranyl acrylates CrystEngComm, 2016, 18, 1723 |
| 7223966 | CIF | C6 H12 O9 U | P 1 21/c 1 | 11.6745; 12.4709; 16.003 90; 148.27; 90 | 1225.3 | Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N. Structural diversity of uranyl acrylates CrystEngComm, 2016, 18, 1723 |
| 7223967 | CIF | C6 H10 O8 U | P 1 21/n 1 | 10.7059; 7.7322; 13.5945 90; 107.093; 90 | 1075.65 | Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N. Structural diversity of uranyl acrylates CrystEngComm, 2016, 18, 1723 |
| 7223968 | CIF | C6 H10 O8 U | C 1 2/m 1 | 10.724; 7.721; 6.897 90; 107.246; 90 | 545.4 | Klepov, Vladislav V.; Vologzhanina, Anna V.; Alekseev, Evgeny V.; Pushkin, Denis V.; Serezhkina, Larisa B.; Sergeeva, Olga A.; Knyazev, Aleksandr V.; Serezhkin, Viktor N. Structural diversity of uranyl acrylates CrystEngComm, 2016, 18, 1723 |
| 7223969 | CIF | C11 H13 N5 O5 Zn | P 1 21/c 1 | 10.097; 12.8101; 10.9229 90; 102.581; 90 | 1378.9 | Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties CrystEngComm, 2016, 18, 1523 |
| 7223970 | CIF | C12 H16 Cd2 N5 O8.5 | P 1 21/m 1 | 10.4622; 7.187; 13.4544 90; 112.694; 90 | 933.34 | Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties CrystEngComm, 2016, 18, 1523 |
| 7223971 | CIF | C9 H7 Mn N4 Na O6 | C 1 2/c 1 | 19.571; 11.0278; 13.2983 90; 124.084; 90 | 2377.1 | Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties CrystEngComm, 2016, 18, 1523 |
| 7223972 | CIF | C18 H38 Mn3 N8 O24 | P -1 | 7.3088; 10.1375; 12.0815 78.884; 77.512; 78.615 | 846.18 | Gao, Wei; Li, Peng; Liu, Feng; Zhang, Xiu-Mei; Liu, Jie-Ping Four metal‒organic frameworks based on the 5-(1H-tetrazol-5-yl)isophthalic acid ligand: luminescence and magnetic properties CrystEngComm, 2016, 18, 1523 |
| 7223973 | CIF | C28 H39 N6 O11.5 S | P b c a | 24.029; 10.9805; 24.3497 90; 90; 90 | 6424.7 | Abraham, Anuji; Apperley, David C.; Byard, Stephen J.; Ilott, Andrew J.; Robbins, Andrew J.; Zorin, Vadim; Harris, Robin K.; Hodgkinson, Paul Characterising the role of water in sildenafil citrate by NMR crystallography CrystEngComm, 2016, 18, 1054 |
| 7223974 | CIF | C22 H26 N2 O4 S | P 21 21 21 | 9.3387; 13.9027; 16.555 90; 90; 90 | 2149.39 | Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A. Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts CrystEngComm, 2016, 18, 1235 |
| 7223975 | CIF | C31 H36 N2 O9 S | P 21 21 21 | 9.9411; 10.7606; 28.5926 90; 90; 90 | 3058.61 | Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A. Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts CrystEngComm, 2016, 18, 1235 |
| 7223976 | CIF | C28 H31 N3 O6 S | P 1 21 1 | 8.7897; 6.1726; 25.1531 90; 91.5255; 90 | 1364.21 | Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A. Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts CrystEngComm, 2016, 18, 1235 |
| 7223977 | CIF | C26 H32 N2 O9 S | P 21 21 21 | 5.8962; 9.032; 50.5074 90; 90; 90 | 2689.75 | Stepanovs, D.; Jure, M.; Gosteva, M.; Popelis, J.; Kiselovs, G.; Mishnev, A. Crystal structures and physicochemical properties of diltiazem base and its acetylsalicylate, nicotinate andl-malate salts CrystEngComm, 2016, 18, 1235 |
| 7223978 | CIF | C63.4 H52.8 N4 O2 Sn | R -3 :H | 36.4984; 36.4984; 10.5148 90; 90; 120 | 12130.5 | Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J. Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals CrystEngComm, 2016, 18, 1515 |
| 7223979 | CIF | C60 H44 Br2 N4 O2 Sn | R -3 :H | 36.626; 36.626; 10.4295 90; 90; 120 | 12116.4 | Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J. Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals CrystEngComm, 2016, 18, 1515 |
| 7223980 | CIF | C60 H44 N6 O6 Sn | R -3 :H | 37.09; 37.09; 10.1013 90; 90; 120 | 12034.3 | Wang, S.; Knowles, G. P.; Chaffee, A. L.; Langford, S. J. Selective CO2uptake and vapor adsorption study within Sn(iv) porphyrin crystals CrystEngComm, 2016, 18, 1515 |
| 7223981 | CIF | C72 H43 Co3 N6 O13 | R 3 2 | 24.811; 24.811; 21.455 90; 90; 120 | 11437.9 | Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms CrystEngComm, 2016, 18, 4115 |
| 7223982 | CIF | C72 H43 Co3 N6 O13 | R 3 | 20.186; 20.186; 20.2891 90; 90; 120 | 7159.7 | Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms CrystEngComm, 2016, 18, 4115 |
| 7223983 | CIF | C72 H43 Co3 N30 O | R -3 c | 27.3444; 27.3444; 71.115 90; 90; 120 | 46050 | Shen, Jian-Qiang; Wei, Yong-Sheng; Liao, Pei-Qin; Lin, Rui-Biao; Zhou, Dong-Dong; Zhang, Jie-Peng; Chen, Xiao-Ming Unique (3,9)-connected porous coordination polymers constructed by tripodal ligands with bent arms CrystEngComm, 2016, 18, 4115 |
| 7224001 | CIF | C94 H90 Mn8 N8 O28 | P -1 | 14.0134; 14.8016; 15.2457 105.689; 113.922; 103.178 | 2570 | Yang, Fei; Deng, Yong-Kai; Guo, Ling-Yu; Su, Hai-Feng; Jagličić, Zvonko; Feng, Zhen-Yu; Zhuang, Gui-Lin; Zeng, Su-Yuan; Sun, Di Structural, electrochemical and magnetic analyses of a new octanuclear MnIII2MnII6cluster with linked-defect cubane topology CrystEngComm, 2016, 18, 1329 |
| 7224002 | CIF | C7 H9 Cl Cu N2 S | P 1 21/c 1 | 8.127; 15.764; 8.041 90; 111.816; 90 | 956.4 | Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands CrystEngComm, 2016, 18, 1809 |
| 7224003 | CIF | C14 H18 Cl Cu N4 S2 | P -1 | 8.8605; 9.6615; 11.7506 66.423; 82.85; 78.316 | 901.79 | Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands CrystEngComm, 2016, 18, 1809 |
| 7224004 | CIF | C14 H18 Br Cu N4 S2 | C 1 2/c 1 | 21.7441; 9.8378; 16.9298 90; 90.766; 90 | 3621.2 | Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands CrystEngComm, 2016, 18, 1809 |
| 7224005 | CIF | C28 H36 Cu2 I2 N8 S4 | C 1 2/c 1 | 21.91; 9.9443; 16.891 90; 90.414; 90 | 3680.1 | Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands CrystEngComm, 2016, 18, 1809 |
| 7224006 | CIF | C4 H7 Cl Cu N2 S | P 1 21/n 1 | 7.9771; 10.673; 8.921 90; 97.182; 90 | 753.571 | Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands CrystEngComm, 2016, 18, 1809 |
| 7224007 | CIF | C4 H10 Cu I N2 S2 | P -1 | 7.4292; 8.0762; 9.614 107.059; 90.971; 110.972 | 510.1 | Troyano, Javier; Perles, Josefina; Amo-Ochoa, Pilar; Zamora, Félix; Delgado, Salomé Strong luminescent copper(i) halide coordination polymers and dinuclear complexes with thioacetamide and N,N′-donor ligands CrystEngComm, 2016, 18, 1809 |
| 7224008 | CIF | C53 H42 N8 Ni O21 S3 U2 | P -1 | 13.8935; 14.0662; 18.2195 108.577; 110.263; 97.592 | 3046.3 | Thuéry, Pierre; Harrowfield, Jack Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate CrystEngComm, 2016, 18, 1550 |
| 7224009 | CIF | C38 H56 Cl Co N8 O26 S4 U2 | P 1 21 1 | 10.8016; 20.409; 12.8547 90; 105.973; 90 | 2724.41 | Thuéry, Pierre; Harrowfield, Jack Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate CrystEngComm, 2016, 18, 1550 |
| 7224010 | CIF | C128 H96 Fe2 N18 O44 S6 U5 | P -1 | 13.7311; 15.5105; 17.8862 68.574; 70.094; 76.948 | 3311.7 | Thuéry, Pierre; Harrowfield, Jack Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate CrystEngComm, 2016, 18, 1550 |
| 7224011 | CIF | C123 H87 N17 Ni2 O43 S6 U5 | P -1 | 13.7804; 15.5944; 18.0932 67.6388; 69.388; 76.7394 | 3345.09 | Thuéry, Pierre; Harrowfield, Jack Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate CrystEngComm, 2016, 18, 1550 |
| 7224012 | CIF | C30 H26 Ag2 N6 O17 S3 U2 | P 42/n m c | 26.1007; 26.1007; 6.695 90; 90; 90 | 4560.95 | Thuéry, Pierre; Harrowfield, Jack Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate CrystEngComm, 2016, 18, 1550 |
| 7224013 | CIF | C136 H104 Ag5 N21 O41 S6 U4 | P 21 21 21 | 18.4849; 26.8834; 31.5917 90; 90; 90 | 15699.1 | Thuéry, Pierre; Harrowfield, Jack Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate CrystEngComm, 2016, 18, 1550 |
| 7224021 | CIF | C28 H26 K O15 Tb | P 4/n n c | 15.513; 15.513; 26.445 90; 90; 90 | 6364.1 | Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties CrystEngComm, 2016, 18, 1570 |
| 7224022 | CIF | C28 H26 Dy K O15 | P 4/n n c | 15.322; 15.322; 26.327 90; 90; 90 | 6180.6 | Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties CrystEngComm, 2016, 18, 1570 |
| 7224023 | CIF | C59 H39 K O28 Tb3 | P n m a | 20.15; 30.14; 11.69 90; 90; 90 | 7100 | Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties CrystEngComm, 2016, 18, 1570 |
| 7224024 | CIF | C59 H39 Dy3 K O28 | P n m a | 19.1; 28.26; 11.1446 90; 90; 90 | 6015.5 | Li, Yun; Wang, Ning; Huang, Jie-Yi; Zhang, Fei-Hua; Xiong, Yan-Ju; Cheng, Qian; Fang, Jie-Fang; Zhu, Fei-Fei; Long, Yi; Yue, Shan-Tang KI-induced synthesis of highly connected 3D KI‒LnIIIheterobimetallic MOFs: temperature-dependent structure and physical properties CrystEngComm, 2016, 18, 1570 |
| 7224025 | CIF | C24 H18 N4 O2 | P -1 | 8.2616; 11.0442; 11.8712 69.313; 76.743; 71.691 | 953.45 | Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M. Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand CrystEngComm, 2016, 18, 1892 |
| 7224026 | CIF | C21 H26 Cl4 N4 O3 Sn | P 1 21/c 1 | 8.3486; 27.473; 11.3936 90; 93.665; 90 | 2607.9 | Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M. Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand CrystEngComm, 2016, 18, 1892 |
| 7224027 | CIF | C49 H42 Cl2 Cu2 N8 O15 | P n n a | 15.2508; 23.2887; 12.9853 90; 90; 90 | 4612 | Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M. Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand CrystEngComm, 2016, 18, 1892 |
| 7224028 | CIF | C38 H40 Cl4 Mn2 N8 O4 | P -1 | 9.441; 10.9557; 10.9598 64.848; 88.44; 72.81 | 973.92 | Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M. Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand CrystEngComm, 2016, 18, 1892 |
| 7224029 | CIF | C38 H32 Cl Fe N10 O2 | C 1 2/c 1 | 13.163; 19.772; 13.268 90; 92.198; 90 | 3450.6 | Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M. Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand CrystEngComm, 2016, 18, 1892 |
| 7224030 | CIF | C52 H38 Fe2 N10 O5 | P -1 | 13.0767; 13.4441; 14.3843 100.563; 107.325; 98.963 | 2312.8 | Gumbau-Brisa, R.; Hayward, J. J.; Wallis, J. D.; Rawson, J. M.; Pilkington, M. Structural insights into the coordination chemistry and reactivity of a 3,3′-bis-imine-2,2′-bipyridine ligand CrystEngComm, 2016, 18, 1892 |
| 7224040 | CIF | C6 H16 B2 F8 N2 O | P c a 21 | 13.0629; 7.837; 11.6838 90; 90; 90 | 1196.12 | Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen 1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors CrystEngComm, 2016, 18, 1563 |
| 7224041 | CIF | C6 H16 B2 F8 N2 O | P c a 21 | 13.231; 7.883; 11.786 90; 90; 90 | 1229.3 | Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen 1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors CrystEngComm, 2016, 18, 1563 |
| 7224042 | CIF | C6 H16 Cl2 N2 O9 | P c a 21 | 13.357; 8.073; 11.836 90; 90; 90 | 1276.3 | Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen 1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors CrystEngComm, 2016, 18, 1563 |
| 7224043 | CIF | C6 H16 Cl2 N2 O9 | P c a 21 | 13.296; 8.069; 11.772 90; 90; 90 | 1263 | Han, Xiang-Bin; Hu, Pan; Shi, Chao; Zhang, Wen 1,4-Diazabicyclo[2.2.2]octane-based disalts showing non-centrosymmetric structures and phase transition behaviors CrystEngComm, 2016, 18, 1563 |
| 7224044 | CIF | C72 H60 Cl4 Mn O4 P4 Zn | F d d 2 | 20.7414; 32.981; 9.7539 90; 90; 90 | 6672.4 | Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties CrystEngComm, 2016, 18, 1818 |
| 7224045 | CIF | C36 H30 Cl2 O2 P2 Zn | F d d 2 | 20.718; 33.018; 9.751 90; 90; 90 | 6670 | Liu, Xiaolong; Wang, Guangqiang; Dang, Yangyang; Zhang, Shaojun; Tian, Hanlin; Ren, Yan; Tao, Xutang A new potential nonlinear optical hybrid semi-organic crystal of ZnMnCl4(TPPO)4with attractive physical properties CrystEngComm, 2016, 18, 1818 |
| 7224048 | CIF | C13 H11 Co N O6 | P 1 21/c 1 | 13.876; 12.212; 7.7376 90; 104.205; 90 | 1271.1 | Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net CrystEngComm, 2016, 18, 2065 |
| 7224049 | CIF | C13 H11 Co N O6 | P -1 | 6.4032; 7.7936; 12.7782 74.095; 83.775; 84.04 | 607.82 | Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net CrystEngComm, 2016, 18, 2065 |
| 7224050 | CIF | C13 H11 Co N O6 | P -1 | 6.4023; 16.0344; 25.698 106.588; 96.084; 92.993 | 2504.62 | Hou, Juan-Juan; Li, Xiao-Qing; Tian, Bao-Qiang; Zhang, Xian-Ming Genuine supramolecular isomers based on Y-shaped pyridinedicarboxylate ligands with distinct topology: 2D 63layer, kgd layer to 3D rtl net CrystEngComm, 2016, 18, 2065 |
| 7224059 | CIF | C12 H13 N O7 | C 1 2/c 1 | 28.77; 8.771; 10.211 90; 108.17; 90 | 2448 | Singh, Shiv Shankar; Vasantha, K. Y.; Sattur, A. P.; Thakur, Tejender S. Experimental and computational crystal structure landscape study of nigerloxin: a fungal metabolite from Aspergillus niger CrystEngComm, 2016, 18, 1740 |
| 7224060 | CIF | C10 H9 N O6 | P 1 21/c 1 | 11.277; 8.788; 9.851 90; 96.003; 90 | 970.9 | Singh, Shiv Shankar; Vasantha, K. Y.; Sattur, A. P.; Thakur, Tejender S. Experimental and computational crystal structure landscape study of nigerloxin: a fungal metabolite from Aspergillus niger CrystEngComm, 2016, 18, 1740 |
| 7224069 | CIF | C216 H212 Cl4 Co16 F4 N4 O44 S16 | C 1 2/c 1 | 42.6717; 26.3547; 33.6116 90; 113.576; 90 | 34644.5 | Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands CrystEngComm, 2016, 18, 4938 |
| 7224070 | CIF | C264 H224 Cl4 Co16 F8 N8 O48 S16 | I 4/m | 30.146; 30.146; 21.5634 90; 90; 90 | 19596.4 | Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands CrystEngComm, 2016, 18, 4938 |
| 7224071 | CIF | C216 H216 Cl4 Co16 N4 O44 S16 | C 1 2/c 1 | 42.516; 28.4143; 33.6347 90; 111.972; 90 | 37682 | Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands CrystEngComm, 2016, 18, 4938 |
| 7224072 | CIF | C264 H232 Cl4 Co16 N8 O48 S16 | I 4/m | 30.163; 30.163; 21.6122 90; 90; 90 | 19662.9 | Hang, Xinxin; Wang, Shentang; Zhu, Xiaofei; Han, Haitao; Liao, Wuping pH-dependent formation of different coordination cages based on Co4-TC4A secondary building units and bridging ligands CrystEngComm, 2016, 18, 4938 |
| 7224073 | CIF | C168 H432 Cl18 La12 N24 Ni15 O276 | P m -3 m | 21.0408; 21.0408; 21.0408 90; 90; 90 | 9315.1 | Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks CrystEngComm, 2016, 18, 4142 |
| 7224074 | CIF | C168 H460 Cl18 Gd12 N24 Ni15 O290 | P m -3 m | 20.9271; 20.9271; 20.9271 90; 90; 90 | 9164.9 | Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks CrystEngComm, 2016, 18, 4142 |
| 7224075 | CIF | C14 H30 Cl La N2 Ni O21 | P 1 21/c 1 | 18.7646; 9.0729; 18.6765 90; 116.804; 90 | 2838.02 | Zhang, Han; Yan, Zhi-Hao; Luo, Yun; Zheng, Xiu-Ying; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun Anion-controlled assembly of a series of heterometallic 3d‒4f compounds with 0D cluster, 1D chain, 2D network and 3D frameworks CrystEngComm, 2016, 18, 4142 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!