Crystallography Open Database
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| 7212955 | CIF | C22 H16 Ag N2 S8 Se8 | P 21 21 2 | 9.5839; 4.983; 34.645 90; 90; 90 | 1654.5 | Golhen, Stéphane; Ouahab, Lahcène; Lebeuze, Albert; Bouayed, Mounir; Delhaes, Pierre; Kashimura, Yoshiaki; Kato, Reizo; Binet, Laurent; Fabre, Jean-Marc Preparation, crystal structures, EHT band calculations and physical properties of κ-(EDS-EDT-TTF)2[Ag2(CN)3] and α-(BETS)2Ag(CN)2 Journal of Materials Chemistry, 1999, 9, 387 |
| 7213172 | CIF | C11 H12 F N O3 | P 21 21 2 | 9.366; 16.003; 7.598 90; 90; 90 | 1138.8 | Banks, John W.; Batsanov, Andrei S.; Howard, Judith A. K.; O’Hagan, David; Rzepa, Henry S.; Martin-Santamaria, Sonsoles The preferred conformation of α-fluoroamides Journal of the Chemical Society, Perkin Transactions 2, 1999, 2409 |
| 7213195 | CIF | C23 H23 F N O2 P | P 21 21 2 | 11.8451; 27.3815; 6.0985 90; 90; 90 | 1978 | Kotoris, Christopher C.; Wen, Wendy; Lough, Alan; Taylor, Scott D. Preparation of chiral α-monofluoroalkylphosphonic acids and their evaluation as inhibitors of protein tyrosine phosphatase 1B Journal of the Chemical Society, Perkin Transactions 1, 2000, 1271 |
| 7213198 | CIF | C23 H23 F N O2 P | P 21 21 2 | 12.2726; 24.9928; 6.6447 90; 90; 90 | 2038.1 | Kotoris, Christopher C.; Wen, Wendy; Lough, Alan; Taylor, Scott D. Preparation of chiral α-monofluoroalkylphosphonic acids and their evaluation as inhibitors of protein tyrosine phosphatase 1B Journal of the Chemical Society, Perkin Transactions 1, 2000, 1271 |
| 7213275 | CIF | C35 H46 Br Cl3 O3 | P 21 21 2 | 19.0851; 19.4641; 9.5618 90; 90; 90 | 3552 | Dinger, Maarten B.; Scott, Michael J. Hydroxy-substituted triarylcarbenium bromides. Synthesis, structure, derivatization and facile conversion to highly substituted xanthenes † Journal of the Chemical Society, Perkin Transactions 1, 2000, 1741 |
| 7213728 | CIF | C15 H20 N2 O2 | P 21 21 2 | 12.0653; 29.4244; 7.6893 90; 90; 90 | 2729.81 | Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation CrystEngComm, 2014, 16, 1919 |
| 7213729 | CIF | C17.5 H24 N2 O1.5 | P 21 21 2 | 14.7583; 29.841; 7.5013 90; 90; 90 | 3303.6 | Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation CrystEngComm, 2014, 16, 1919 |
| 7213731 | CIF | C15.25 H18.75 N2.25 O1.5 | P 21 21 2 | 12.1; 29.76; 7.7 90; 90; 90 | 2772.7 | Zhang, Qi; Lu, Liye; Dai, Wenjuan; Mei, Xuefeng Polymorphism and isomorphism of Huperzine A solvates: structure, properties and form transformation CrystEngComm, 2014, 16, 1919 |
| 7214399 | CIF | C35 H36 N4 O12 Zn2 | P 21 21 2 | 16.397; 18.642; 7.9656 90; 90; 90 | 2434.9 | Ju, Zemin; Cao, Dapeng; Qin, Ling; Zhang, Chuanlei; Zhang, Mingdao; Shi, Zhiqiang; Zheng, Hegen Syntheses, characterization, and properties of five coordination compounds based on the ligand tetrakis(4-pyridyloxymethylene)methane CrystEngComm, 2014, 16, 3917 |
| 7214678 | CIF | C16 H42 Cd6 O39 | P 21 21 2 | 13.7005; 15.6523; 9.4417 90; 90; 90 | 2024.7 | Vera-Cruz, Paula; Toscano, Rubén A.; Balmaseda, Jorge; Basterrechea, Mario; Niño, Netzahualcoyotl; Felipe del Castillo, Luis Synthesis and crystal structure of three new cadmium tartrates with open frameworks CrystEngComm, 2012, 14, 8606 |
| 7214920 | CIF | C44 H68 N20 O29 | P 21 21 2 | 15.8841; 12.4803; 14.1747 90; 90; 90 | 2810 | Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril CrystEngComm, 2012, 14, 8049 |
| 7214922 | CIF | C40 H40 N25 O20 | P 21 21 2 | 15.8841; 12.4803; 14.1747 90; 90; 90 | 2810 | Chen, Kai; Liang, Li-Li; Liu, Hao-Jing; Tao, Zhu; Xue, Sai-Feng; Zhang, Yun-Qian; Zhu, Qian-Jiang p-Hydroxybenzoic acid-assisted homochiral 1D-helical coordination polymers from calcium cations and cucurbit[5]uril CrystEngComm, 2012, 14, 8049 |
| 7214933 | CIF | C12 H10 Br2 Cd N4 S4 | P 21 21 2 | 10.999; 16.628; 5.1034 90; 90; 90 | 933.4 | Jia, Hong-Li; Jia, Ming-Jun; Ding, Hong; Yu, Jie-Hui; Jin, Juan; Zhao, Jin-Jing; Xu, Ji-Qing New thiocyanatocadmates with bidentate N-heterocyclic molecules as the templating agents: synthesis and structural characterization CrystEngComm, 2012, 14, 8000 |
| 7215223 | CIF | C12 H18 O3 | P 21 21 2 | 16.149; 17.459; 8.1259 90; 90; 90 | 2291.1 | Gubaidullin, Aidar T.; Samigullina, Aida I.; Bredikhina, Zemfira A.; Bredikhin, Alexander A. Crystal structure of chiral ortho-alkyl phenyl ethers of glycerol: true racemic compound, normal, false and anomalous conglomerates within the single five-membered family CrystEngComm, 2014, 16, 6716 |
| 7217202 | CIF | C69 H74 Cl2 Mo2 N2 O8 | P 21 21 2 | 14.6862; 15.6249; 13.2871 90; 90; 90 | 3049 | Chen, Yu; Ma, Li; Bian, Zheng; Jin, Rizhe; Kang, Chuanqing; Li, Zongjun; Gao, Xiang; Han, Fushe; Qiu, Xuepeng; Gao, Lianxun The crystallographic observation of mesitylene–mesitylene and mesitylene–CH2Cl2–mesitylene adducts trapped in an irregular cavity CrystEngComm, 2014, 16, 8652 |
| 7217277 | CIF | C32 H44 Cl2 Cu N8 O16 | P 21 21 2 | 11.3423; 19.2826; 9.5549 90; 90; 90 | 2089.74 | Suman, Kumari; Baig, Fayaz; Kant, Rajani; Gupta, Vivek; Mandal, Sanjay; Sarkar, Madhushree Is Metal Metathesis a Framework-Templating Strategy to Synthesize Coordination Polymers? Transmetallation Studies involving Flexible ligands RSC Advances, 2014 |
| 7217450 | CIF | C35 H36 Cl2 N4 O | P 21 21 2 | 24.1816; 10.4269; 11.7456 90; 90; 90 | 2961.53 | Cross, Jacob T.; Rossi, Nicholas A.; Serafin, Mateusz; Wheeler, Kraig A. Tröger's base quasiracemates and crystal packing tendencies CrystEngComm, 2014, 16, 7251 |
| 7217676 | CIF | C20 H30 O3 | P 21 21 2 | 15.646; 10.703; 10.876 90; 90; 90 | 1821 | Huang, Hong-Li; Qi, Feng-Ming; Yuan, Ji-Cheng; Zhao, Cai-Gui; Yang, Jing-Wei; Fang, Fu-Hu; Wu, Quan-xiang; Gao, Kun; Yuan, Cheng-Shan Labdane-Type Diterpenoids from Croton laevigatus RSC Advances, 2014 |
| 7218135 | CIF | C4 H11 N O5 | P 21 21 2 | 12.332; 9.9903; 5.80218 90; 90; 90 | 714.83 | Kapustin, E. A.; Minkov, V. S.; Boldyreva, E. V. Oxidative stress of H2O2on N,N-dimethylglycine: formation of perhydrate crystals and more CrystEngComm, 2014, 16, 10165 |
| 7218734 | CIF | C24 H54 O22 Sr U2 | P 21 21 2 | 13.4543; 18.4479; 16.4994 90; 90; 90 | 4095.2 | Savchenkov, Anton V.; Klepov, Vladislav V.; Vologzhanina, Anna V.; Serezhkina, Larisa B.; Pushkin, Denis V.; Serezhkin, Viktor N. Trinuclear {Sr[UO2L3]2(H2O)4} and pentanuclear {Sr[UO2L3]4}2−uranyl monocarboxylate complexes (L-acetate or n-butyrate ion) CrystEngComm, 2015, 17, 740 |
| 7219158 | CIF | C19 H22 N4 O7 | P 21 21 2 | 21.196; 4.605; 10.551 90; 90; 90 | 1029.9 | Bera, Santu; Maity, Sibaprasad; Haldar, Debasish Assembly of encapsulated water in hybrid bisamides: helical and zigzag water chains CrystEngComm, 2015, 17, 1569 |
| 7219547 | CIF | C14 H13.33333 Ba Li2 N5.33333 O9.33333 | P 21 21 2 | 10.8783; 28.3945; 9.2141 90; 90; 90 | 2846.09 | Song, Ying; Lin, Chen-Sheng; Zhang, Ming-Jian; Wei, Qi; Feng, Mei-Ling; Huang, Xiao-Ying Assembly of noncentrosymmetric coordination polymers by the integration of acentric Ba(ii)/Sr(ii) and Li(i) coordination polyhedra CrystEngComm, 2015, 17, 3418 |
| 7220106 | CIF | C26 H52 N5 O10 P3 | P 21 21 2 | 12.4915; 13.3518; 9.9705 90; 90; 90 | 1662.92 | Gutowska, Natalia; Seliger, Piotr; Andrijewski, Grzegorz; Siwy, Mariola; Małecka, Magdalena; Kusz, Joachim Single and double crown macrocyclic derivatives of cyclotriphosphazene as receptors of silver(i) ions RSC Adv., 2015, 5, 38435 |
| 7220624 | CIF | C136 H98 N10 O28 Zn5 | P 21 21 2 | 14.2642; 42.291; 9.6129 90; 90; 90 | 5799 | Zhao, Lun; Guo, Huadong; Tang, Dong; Zhang, Min Syntheses, characterization and properties of nine novel Zn(ii) coordination polymers based on 4,4′-(phenylazanediyl)dibenzoic acid and various N-donor ligands CrystEngComm, 2015, 17, 5451 |
| 7221618 | CIF | C117 H148 Cl10 N12 Ti4 | P 21 21 2 | 21.8842; 28.7235; 9.4156 90; 90; 90 | 5918.6 | Nomura, Kotohiro; Patamma, Srisuda; Matsuda, Hideshi; Katao, Shohei; Tsutsumi, Ken; Fukuda, Hiroya Synthesis of Half-Titanocenes Containing 1,3-Imidazolidin-2-Iminato Ligands of type, Cp*TiCl2[1,3-R2(CH2N)2C=N]: Highly Active Catalyst Precursors in Ethylene (Co)polymerisation RSC Adv., 2015 |
| 7222452 | CIF | C22 H19 In N2 O8 | P 21 21 2 | 19.7244; 17.0814; 9.9554 90; 90; 90 | 3354.18 | Qian, Jinjie; Yu, Panpan; Su, Kongzhao; Dong, Youqing; Huang, Shaoming; Hong, Maochun Crystal structure, morphology and sorption behaviour of porous indium-tetracarboxylate framework materials CrystEngComm, 2015, 17, 8512 |
| 7223438 | CIF | C45 H44 O28 Zn6 | P 21 21 2 | 17.382; 10.4516; 15.97 90; 90; 90 | 2901.3 | McCormick, Laura J.; Morris, Samuel A.; Slawin, Alexandra M. Z.; Teat, Simon J.; Morris, Russell E. Coordination polymers of 5-substituted isophthalic acid. CrystEngComm / RSC, 2016, 18, 1123-1132 |
| 7223776 | CIF | C56 H99 Ag7 N21 O0.5 | P 21 21 2 | 25.5782; 25.6108; 11.5927 90; 90; 90 | 7594.1 | Yang, Xiao; Wang, Yu; Zhou, Hao-Long; Liu, Yi-Jiang; He, Chun-Ting; Lin, Rui-Biao; Zhang, Jie-Peng Guest-containing supramolecular isomers of silver(i) 3,5-dialkyl-1,2,4-triazolates: syntheses, structures, and structural transformation behaviours CrystEngComm, 2015, 17, 8843 |
| 7223872 | CIF | C26 H34 O3 S | P 21 21 2 | 9.7748; 36.406; 6.5704 90; 90; 90 | 2338.2 | Huang, Mingming; Hu, Liangzhen; Shen, Hang; Liu, Qing; Hussain, Muhammad Ijaz; Pan, Jing; Xiong, Yan Sulfination of alcohols with sodium sulfinates promoted by BF3·OEt2: an unexpected access Green Chem., 2016, 18, 1874 |
| 7224179 | CIF | C12 H8 I6 N2 O2 Ru | P 21 21 2 | 15.6811; 7.3656; 9.4737 90; 90; 90 | 1094.22 | Ding, Xin; Tuikka, Matti J.; Hirva, Pipsa; Kukushkin, Vadim Yu.; Novikov, Alexander S.; Haukka, Matti Fine-tuning halogen bonding properties of diiodine through halogen‒halogen charge transfer ‒ extended [Ru(2,2′-bipyridine)(CO)2X2]·I2systems (X = Cl, Br, I) CrystEngComm, 2016, 18, 1987 |
| 7224648 | CIF | C87 H72 La2 N2 O40 | P 21 21 2 | 20.164; 16.345; 16.679 90; 90; 90 | 5497 | Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains CrystEngComm, 2016, 18, 3079 |
| 7224649 | CIF | C44 H36 Lu N O20 | P 21 21 2 | 20.052; 16.35; 16.623 90; 90; 90 | 5450 | Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains CrystEngComm, 2016, 18, 3079 |
| 7224650 | CIF | C44 H36 Gd N O20 | P 21 21 2 | 20.14; 16.625; 16.701 90; 90; 90 | 5592 | Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains CrystEngComm, 2016, 18, 3079 |
| 7224651 | CIF | C44 H36 N O20 Pr | P 21 21 2 | 20.285; 16.776; 16.805 90; 90; 90 | 5718.8 | Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains CrystEngComm, 2016, 18, 3079 |
| 7224656 | CIF | C44 H36 Ce N O20 | P 21 21 2 | 20.195; 16.765; 16.778 90; 90; 90 | 5680.5 | Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains CrystEngComm, 2016, 18, 3079 |
| 7224657 | CIF | C44 H36 N Nd O20 | P 21 21 2 | 20.169; 16.722; 16.759 90; 90; 90 | 5652.2 | Sun, Jing-Wen; Li, Shang-Ju; Yan, Peng-Fei; Yao, Xu; Li, Guang-Ming In situ recrystallization of lanthanide coordination polymers: from 1D ladder chains to 1D linear chains CrystEngComm, 2016, 18, 3079 |
| 7225292 | CIF | C35 H50 O7 | P 21 21 2 | 14.955; 32.318; 6.8184 90; 90; 90 | 3295.4 | Zhou, Li na; Yin, Qiuxiang; Du, Shichao; Hao, Hongxun; Li, Yanfeng; Mingyan, Liu; Hou, Baohong Crystal structure, thermal crystal form transformation, desolvation process and desolvation kinetics of two novel solvates of ciclesonide RSC Adv., 2016 |
| 7225902 | CIF | C17 H16 N2 O3 S | P 21 21 2 | 11.9242; 26.5717; 5.0373 90; 90; 90 | 1596.05 | Mary Sheeba, Mani; Muthu Tamizh, M.; Babu, S. Ganesh; Bhuvanesh, Nattamai; Karvembu, R. Ru(II)-p-cymene complexes containing ester of chiral D/L-phenylalanine derived aroylthiourea ligands for enantioselective reduction of pro-chiral ketones RSC Adv., 2016 |
| 7226223 | CIF | C19 H26 O4 | P 21 21 2 | 20.3794; 9.1072; 9.1422 90; 90; 90 | 1696.79 | Li, Xin; Li, Xiao-Ming; Li, Xiao-Dong; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui 20-Nor-isopimarane cycloethers from the deep-sea sediment-derived fungus Aspergillus wentii SD-310 RSC Adv., 2016, 6, 75981 |
| 7226516 | CIF | C27 H18 N2 O7 Zn | P 21 21 2 | 15.7341; 19.19; 8.3925 90; 90; 90 | 2534 | Liu, Bo; Zhou, Hui-Fang; Guan, Zheng-Hui; Hou, Lei; Cui, Bin; Wang, Yao-Yu Cleavage of a C‒C σ bond between two phenyl groups under mild conditions during the construction of Zn(ii) organic frameworks Green Chem., 2016, 18, 5418 |
| 7226540 | CIF | C30 H20 Cu2 N4 | P 21 21 2 | 18.0922; 28.182; 16.7188 90; 90; 90 | 8524.5 | Grzywa, Maciej; Denysenko, Dmytro; Schaller, Andreas; Kalytta-Mewes, Andreas; Volkmer, Dirk Flexible chiral pyrazolate-based metal‒organic framework containing saddle-type CuI4(pyrazolate)4units CrystEngComm, 2016, 18, 7883 |
| 7226817 | CIF | C20 H38 Cu2 N4 O17 | P 21 21 2 | 11.2493; 16.5313; 8.4611 90; 90; 90 | 1573.5 | Zhang, Zhi-Hui; Yang, Xu-Sheng; Zhang, Qing-Qing; Wang, Liang; He, Ming-Yang; Chen, Qun; huang, Xian-Feng Structure-Induced Catalysis Enhancement of Cu-Amino Catalysts for Rapidly Selective Oxidation of Sulfides in the Presence of H2O2 RSC Adv., 2016 |
| 7227178 | CIF | C15 H23 O3.5 | P 21 21 2 | 16.315; 17.05; 5.2386 90; 90; 90 | 1457.2 | Lin, Jie; Wang, Renlei; Xu, Guohua; Ding, Zhengfeng; Zhu, Xueshen; Liu, Xingzhong; Zou, Jian; Chen, Guodong; Li, Li; Liu, Ling New cadinane sesquiterpenoids from the basidiomycetous fungus Pholiota sp. RSC Adv., 2016 |
| 7227940 | CIF | C19 H13 Br2 Cl N2 O4 | P 21 21 2 | 20.5261; 9.0318; 10.5375 90; 90; 90 | 1953.52 | Novais, Juliana S.; Campos, Vinicius R.; Silva, Ana Carolina J. A.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; Keller, Vitor G. L.; Ferreira, Matheus O.; Dias, Flaviana R. F.; Vitorino, Maíra I.; Sathler, Plínio C.; Santana, Marcos V.; Resende, Jackson A. L. C.; Castro, Helena C.; Cunha, Anna C. Synthesis and antimicrobial evaluation of promising 7-arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates and their halogenated amino compounds for treating Gram-negative bacterial infections RSC Adv., 2017, 7, 18311 |
| 7228168 | CIF | C34 H32 Co N2 O2 | P 21 21 2 | 15.1696; 16.2061; 5.6087 90; 90; 90 | 1378.8 | Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L. Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes CrystEngComm, 2017 |
| 7228177 | CIF | C34 H32 N2 O2 Zn | P 21 21 2 | 15.2491; 16.231; 5.5977 90; 90; 90 | 1385.5 | Powers, Xian B.; Ghiassi, Kamran B.; Greenfield, Joshua T.; Olmstead, Marilyn M.; Balch, Alan L. Interrelationships between the tetrahedral and planar polymorphs of bis(3-ethylamino-1-phenyl-but-2-en-1-ono)nickel(ii) and structural comparisons with related CoII, NiII, CuII, and ZnII complexes CrystEngComm, 2017 |
| 7228214 | CIF | C105 H95 Mn4 N15 O39 | P 21 21 2 | 18.324; 23.774; 14.04 90; 90; 90 | 6116 | Boer, Stephanie A.; Turner, David R. A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers CrystEngComm, 2017, 19, 2402 |
| 7228216 | CIF | C60.3 H42.3 N8 O17 Zn2 | P 21 21 2 | 17.345; 22.362; 13.817 90; 90; 90 | 5359 | Boer, Stephanie A.; Turner, David R. A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers CrystEngComm, 2017, 19, 2402 |
| 7228217 | CIF | C102 H88 Cd4 N14 O38 | P 21 21 2 | 18.674; 23.894; 14.086 90; 90; 90 | 6285 | Boer, Stephanie A.; Turner, David R. A robust metallomacrocyclic motif for the formation interpenetrated coordination polymers CrystEngComm, 2017, 19, 2402 |
| 7228232 | CIF | C27 H18 Ag B Cl2 F4 N2 | P 21 21 2 | 16.4929; 12.677; 11.4596 90; 90; 90 | 2396 | Fukushima, Misaki; Kikkawa, Shoko; hikawa, hidemasa; Azumaya, Isao Synthesis and Solvent Vapor Induced Transformations of Crystals of 1D Coordination Polymer Assembled with Continuous Void Space CrystEngComm, 2017 |
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