Crystallography Open Database
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COD ID  |
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Space group |
Cell parameters | Cell volume |
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|---|---|---|---|---|---|---|
| 7238770 | CIF | C111 H92 Au6 Cl2 F6 O8 P6 S2 | P -1 | 12.7852; 14.6023; 16.363 64.009; 81.587; 88.896 | 2712.9 | Tang, Yu; Yu, Biao Identification of (phosphine)gold(i) hydrates and their equilibria in wet solutions RSC Advances, 2012, 2, 12686 |
| 7238774 | CIF | C74 H115 N8 O38 P S6 | P -1 | 12.9514; 14.2719; 25.9721 87.967; 86.878; 67.322 | 4422.4 | Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu The recognition of 1,5-naphthalenedisulfonate by a protonated azamacrocyclic ligand RSC Advances, 2012, 2, 12728 |
| 7238775 | CIF | C70 H82 N6 O24 S6 | P 1 21/c 1 | 13.3839; 22.0863; 11.7496 90; 95.793; 90 | 3455.5 | Xie, Gao-Yi; Jiang, Long; Lu, Tong-Bu The recognition of 1,5-naphthalenedisulfonate by a protonated azamacrocyclic ligand RSC Advances, 2012, 2, 12728 |
| 7238778 | CIF | C12 H14 O6 S | P 1 21/n 1 | 8.17; 7.029; 22.066 90; 97.99; 90 | 1254.9 | Markoulides, Marios S.; Ioannou, Charalambos P.; Manos, Manolis J.; Chronakis, Nikos Quantitative preparation of 3,4-di(methylene)tetrahydrothiophene-1,1-dioxide by Zn-induced 1,4-debromination. A valuable 6-C reactive diene in [4+2] cycloadditions with DMAD and [60]fullerene RSC Advances, 2012, 2, 12269 |
| 7238779 | CIF | C6 H8 Br2 O2 S | P -1 | 9.33; 9.624; 12.48 70.661; 73.733; 63.117 | 931.7 | Markoulides, Marios S.; Ioannou, Charalambos P.; Manos, Manolis J.; Chronakis, Nikos Quantitative preparation of 3,4-di(methylene)tetrahydrothiophene-1,1-dioxide by Zn-induced 1,4-debromination. A valuable 6-C reactive diene in [4+2] cycloadditions with DMAD and [60]fullerene RSC Advances, 2012, 2, 12269 |
| 7238780 | CIF | C132 H116 Cu18 N41 O50 | P -1 | 14.7198; 19.2788; 20.2209 113.4; 106.96; 100.281 | 4745.7 | Wu, Jin-Ji; Cao, Man-Li; Zhang, Jian-Yong; Ye, Bao-Hui A nanocomposite gel based on 1D coordination polymers and nanoclusters reversibly gelate water upon heating RSC Advances, 2012, 2, 12718 |
| 7239549 | CIF | C32 H44 N2 O6 | P b c n | 15.0473; 18.1959; 10.7775 90; 90; 90 | 2950.9 | Viterisi, Aurélien; Montcada, Núria F.; Kumar, Challuri Vijay; Gispert-Guirado, Francesc; Martin, Eddy; Escudero, Eduardo; Palomares, Emilio Unambiguous determination of molecular packing in crystalline donor domains of small molecule solution processed solar cell devices using routine X-ray diffraction techniques Journal of Materials Chemistry A, 2014, 2, 3536 |
| 7239550 | CIF | C66 H34 Eu4 N2 O34 | P -1 | 12.949; 13.869; 27.972 104.315; 98.301; 94.349 | 4784 | Hao, Zhaomin; Yang, Guocheng; Song, Xuezhi; Zhu, Min; Meng, Xing; Zhao, Shuna; Song, Shuyan; Zhang, Hongjie A europium(iii) based metal‒organic framework: bifunctional properties related to sensing and electronic conductivity J. Mater. Chem. A, 2014, 2, 237 |
| 7239556 | CIF | C402 H338 Cd17 N2 O116 | R 3 c :H | 25.7369; 25.7369; 61.601 90; 90; 120 | 35337.1 | Tian, Dan; Li, Yue; Chen, Rong-Ying; Chang, Ze; Wang, Guan-Yao; Bu, Xian-He A luminescent metal‒organic framework demonstrating ideal detection ability for nitroaromatic explosives J. Mater. Chem. A, 2014, 2, 1465 |
| 7239558 | CIF | C31 H41 Cd N5 O14 | P -1 | 10.217; 10.362; 18.118 102.53; 99.35; 93.79 | 1837.3 | Wang, Guan-Yao; Song, Chan; Kong, De-Ming; Ruan, Wen-Juan; Chang, Ze; Li, Yue Two luminescent metal‒organic frameworks for the sensing of nitroaromatic explosives and DNA strands J. Mater. Chem. A, 2014, 2, 2213 |
| 7239559 | CIF | C31 H41 N5 O14 Zn | P -1 | 10.004; 10.293; 17.914 103.66; 99.58; 93.45 | 1757.9 | Wang, Guan-Yao; Song, Chan; Kong, De-Ming; Ruan, Wen-Juan; Chang, Ze; Li, Yue Two luminescent metal‒organic frameworks for the sensing of nitroaromatic explosives and DNA strands J. Mater. Chem. A, 2014, 2, 2213 |
| 7239560 | CIF | C31 H22 Cu2 O10 | P 63/m m c | 18.4819; 18.4819; 34.4495 90; 90; 120 | 10190.8 | Duan, Xing; Zhang, Qi; Cai, Jianfeng; Yang, Yu; Cui, Yuanjin; He, Yabing; Wu, Chuande; Krishna, Rajamani; Chen, Banglin; Qian, Guodong A new metal‒organic framework with potential for adsorptive separation of methane from carbon dioxide, acetylene, ethylene, and ethane established by simulated breakthrough experiments Journal of Materials Chemistry A, 2014, 2, 2628 |
| 7239561 | CIF | C24 H48 Al Cl7 Mg2 O6 | P 1 21/c 1 | 12.9088; 12.2522; 23.79 90; 90.379; 90 | 3762.6 | Liu, Tianbiao; Shao, Yuyan; Li, Guosheng; Gu, Meng; Hu, Jianzhi; Xu, Suochang; Nie, Zimin; Chen, Xilin; Wang, Chongmin; Liu, Jun A facile approach using MgCl2 to formulate high performance Mg2+ electrolytes for rechargeable Mg batteries Journal of Materials Chemistry A, 2014, 2, 3430 |
| 7239562 | CIF | C42 H63 Al Cl4 Mg2 O6 | P -1 | 11.7192; 14.7431; 15.6936 101.118; 105.884; 109.517 | 2334.1 | Liu, Tianbiao; Shao, Yuyan; Li, Guosheng; Gu, Meng; Hu, Jianzhi; Xu, Suochang; Nie, Zimin; Chen, Xilin; Wang, Chongmin; Liu, Jun A facile approach using MgCl2 to formulate high performance Mg2+ electrolytes for rechargeable Mg batteries Journal of Materials Chemistry A, 2014, 2, 3430 |
| 7239563 | CIF | C9 H20 F6 N P | P 1 21/c 1 | 13.019; 15.518; 14.001 90; 110.76; 90 | 2645 | Murugesan, Sankaran; Quintero, Oliver A.; Chou, Brendan P.; Xiao, Penghao; Park, Kyusung; Hall, Justin W.; Jones, Richard A.; Henkelman, Graeme; Goodenough, John B.; Stevenson, Keith J. Wide electrochemical window ionic salt for use in electropositive metal electrodeposition and solid state Li-ion batteries J. Mater. Chem. A, 2014, 2, 2194 |
| 7239564 | CIF | C5 H5 N9 O10 | P b c a | 11.0318; 10.0035; 22.999 90; 90; 90 | 2538.1 | Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M. Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers Journal of Materials Chemistry A, 2014, 2, 3200 |
| 7239565 | CIF | C5 H3 N11 O10 | P 1 21/c 1 | 18.9685; 7.7374; 27.7321 90; 91.248; 90 | 4069.2 | Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M. Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers Journal of Materials Chemistry A, 2014, 2, 3200 |
| 7239566 | CIF | C3 H4 N6 O4 | P b c a | 12.7023; 8.0688; 13.0694 90; 90; 90 | 1339.5 | Yin, Ping; Zhang, Jiaheng; He, Chunlin; Parrish, Damon A.; Shreeve, Jean'ne M. Polynitro-substituted pyrazoles and triazoles as potential energetic materials and oxidizers Journal of Materials Chemistry A, 2014, 2, 3200 |
| 7239567 | CIF | C12 H16 I N | P 21 21 21 | 6.944; 11.434; 15.743 90; 90; 90 | 1250 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239568 | CIF | C14 H18 I N O2 | P b c a | 7.4137; 13.643; 29.756 90; 90; 90 | 3009.7 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239569 | CIF | C18 H19 N O3 | P -1 | 7.2314; 9.476; 11.6165 82.094; 82.082; 78.631 | 767.95 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239570 | CIF | C17 H18 N Na O4.5 | P -1 | 8.81; 12.003; 17.977 82.678; 86.66; 74.635 | 1817.5 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239571 | CIF | C32 H49 N Na O4.5 | P -1 | 8.6755; 10.3795; 35.24 92.172; 91.37; 99.956 | 3121.7 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239572 | CIF | C17 H20 I N | P 1 21/c 1 | 15.3349; 7.5158; 13.7564 90; 92.545; 90 | 1583.92 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239573 | CIF | C33 H43 N O3 | C 1 2/c 1 | 19.2363; 10.283; 29.048 90; 92.704; 90 | 5739.5 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239574 | CIF | C32 H41 N O3 | P -1 | 9.802; 9.8259; 15.69 83.509; 89.4; 66.4 | 1375 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239575 | CIF | C34 H38 N3 Na O3.5 | P -1 | 11.9454; 12.4652; 24.378 90.54; 101.5; 118.1 | 3115.3 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239576 | CIF | C18 H20 I N O2 | P b c a | 7.53; 13.635; 34.164 90; 90; 90 | 3507.7 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239577 | CIF | C26 H33 N O5 | P 1 21/c 1 | 12.7035; 18.2291; 11.1693 90; 111.529; 90 | 2406.1 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239578 | CIF | C104 H130 N4 O20 | P -1 | 10.8885; 17.307; 27.892 78.372; 80.234; 77.874 | 4988.8 | Connell, Arthur; Holliman, Peter J.; Davies, Matthew L.; Gwenin, Christopher D.; Weiss, Sophie; Pitak, Mateusz B.; Horton, Peter N.; Coles, Simon J.; Cooke, Graeme A study of dye anchoring points in half-squarylium dyes for dye-sensitized solar cells J. Mater. Chem. A, 2014, 2, 4055 |
| 7239582 | CIF | C46.5 H50 Cl2.5 N4 O8.5 Ru2 | P 1 21/c 1 | 20.9534; 15.4403; 29.153 90; 96.57; 90 | 9369.8 | Rojas, S.; Quartapelle-Procopio, E.; Carmona, F. J.; Romero, M. A.; Navarro, J. A. R.; Barea, E. Biophysical characterisation, antitumor activity and MOF encapsulation of a half-sandwich ruthenium(ii) mitoxantronato system J. Mater. Chem. B, 2014, 2, 2473 |
| 7239583 | CIF | C20 H30 Br N3 O2 S | P 1 21/c 1 | 11.7757; 11.5358; 16.1129 90; 94.112; 90 | 2183.18 | Porosa, Lukasz M.; Mistry, Kamlesh B.; Mocella, Amanda; Deng, Hellen; Hamzehi, Shayan; Caschera, Alex; Lough, Alan J.; Wolfaardt, Gideon; Foucher, Daniel A. Synthesis, structures and properties of self-assembling quaternary ammonium dansyl fluorescent tags for porous and non-porous surfaces J. Mater. Chem. B, 2014, 2, 1509 |
| 7239584 | CIF | C17 H25 N3 O2 S | P 1 21/c 1 | 10.5518; 12.7906; 13.4228 90; 101.582; 90 | 1774.71 | Porosa, Lukasz M.; Mistry, Kamlesh B.; Mocella, Amanda; Deng, Hellen; Hamzehi, Shayan; Caschera, Alex; Lough, Alan J.; Wolfaardt, Gideon; Foucher, Daniel A. Synthesis, structures and properties of self-assembling quaternary ammonium dansyl fluorescent tags for porous and non-porous surfaces J. Mater. Chem. B, 2014, 2, 1509 |
| 8000074 | CIF | C23 H16 O2 S2 | P c c n | 5.9686; 13.7161; 22.6208 90; 90; 90 | 1851.87 | Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters, 2011, 2, 648 |
| 8000075 | CIF | C21 H12 O S2 | P 1 2/c 1 | 16.9741; 6.496; 7.1152 90; 91.0088; 90 | 784.43 | Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters, 2011, 2, 648 |
| 8000076 | CIF | C24 H12 N2 S2 | P 1 21/c 1 | 14.8678; 7.5297; 16.9934 90; 95.7169; 90 | 1892.95 | Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters, 2011, 2, 648 |
| 8000077 | CIF | C23 H6 F10 O2 S2 | P -1 | 8.8519; 9.6987; 13.1288 70.3916; 78.2754; 82.4345 | 1037.15 | Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters, 2011, 2, 648 |
| 8000078 | CIF | C24 H2 F10 N2 S2 | P 1 21/n 1 | 16.8693; 7.6992; 32.7451 90; 96.783; 90 | 4223.2 | Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters, 2011, 2, 648 |
| 8000079 | CIF | C23 H11 F5 O2 S2 | P -1 | 8.3262; 9.9514; 12.7866 112.274; 99.195; 91.288 | 963.8 | Reddy, J. Sreedhar; Kale, Tejaswini; Balaji, Ganapathy; Chandrasekaran, A.; Thayumanavan, S. Cyclopentadithiophene-Based Organic Semiconductors: Effect of Fluorinated Substituents on Electrochemical and Charge Transport Properties The Journal of Physical Chemistry Letters, 2011, 2, 648 |
| 8000080 | CIF | C33 H30 F6 N2 | P 1 c 1 | 6.2952; 13.29; 17.297 90; 101.4; 90 | 1418.6 | Dou, Chuandong; Han, Liang; Zhao, Shanshan; Zhang, Hongyu; Wang, Yue Multi-Stimuli-Responsive Fluorescence Switching of a Donor−Acceptor π-Conjugated Compound The Journal of Physical Chemistry Letters, 2011, 2, 666 |
| 8000081 | CIF | C13 H15 N4 O6 | P 41 | 10.6905; 10.6905; 12.9823 90; 90; 90 | 1483.71 | Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals The Journal of Physical Chemistry Letters, 2011, 2, 3036 |
| 8000082 | CIF | C13 H15 N4 O6 | P 43 | 10.6835; 10.6835; 12.9899 90; 90; 90 | 1482.63 | Shiomi, Daisuke; Kanzaki, Yuki; Okada, Sho; Arima, Ryosuke; Miyazaki, Yuji; Inaba, Akira; Tanaka, Rika; Sato, Kazunobu; Takui, Takeji An Enantiopair of Organic Ferromagnet Crystals Based on Helical Molecular Packing of Achiral Organic Radicals The Journal of Physical Chemistry Letters, 2011, 2, 3036 |
| 8000083 | CIF | C10 H7 N O3 | P 1 21/n 1 | 5.2307; 9.6701; 15.5374 90; 98.565; 90 | 777.14 | Tang, Kuo-Chun; Chen, Chyi-Lin; Chuang, Hsiao-Han; Chen, Jien-Lian; Chen, Yi-Ju; Lin, Yi-Chih; Shen, Jiun-Yi; Hu, Wei-Ping; Chou, Pi-Tai A Genuine Intramolecular Proton Relay System Undergoing Excited-State Double Proton Transfer Reaction The Journal of Physical Chemistry Letters, 2011, 2, 3063 |
| 9000000 | CIF | F0.5 Fe6.1 H1.5 Mg0.9 O23.5 Si8 | C 1 2/m 1 | 9.5642; 18.393; 5.3388 90; 101.892; 90 | 919.015 | Finger, L. W. The crystal structure and cation distribution of a grunerite Mineralogical Society of America Special Paper, 1969, 2, 95-100 |
| 9005017 | CIF | O2 Si | P 32 2 1 | 4.9137; 4.9137; 5.4047 90; 90; 120 | 113.011 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 298 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005018 | CIF | O2 Si | P 32 2 1 | 4.9209; 4.9209; 5.4091 90; 90; 120 | 113.434 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 398 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005019 | CIF | O2 Si | P 32 2 1 | 4.9297; 4.9297; 5.4151 90; 90; 120 | 113.967 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 498 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005020 | CIF | O2 Si | P 32 2 1 | 4.9384; 4.9384; 5.4213 90; 90; 120 | 114.5 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 597 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005021 | CIF | O2 Si | P 32 2 1 | 4.9509; 4.9509; 5.4285 90; 90; 120 | 115.234 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 697 K European Journal of Mineralogy, 1990, 2, 63-77 |
| 9005022 | CIF | O2 Si | P 32 2 1 | 4.9628; 4.9628; 5.436 90; 90; 120 | 115.948 | Kihara, K. An X-ray study of the temperature dependence of the quartz structure Sample: at T = 773 K European Journal of Mineralogy, 1990, 2, 63-77 |
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