Crystallography Open Database
Search results
Result: there are 28617 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
We are unable to provide that many records as a single archive.
You can instead download the entire COD archive as a single .zip, .tgz or .txz archive.
Searching journal of publication like 'CrystEngComm / RSC'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 7200835 | CIF | C42 H42 Sn2 | C 1 2/c 1 | 12.092; 16.255; 19.16 90; 105.347; 90 | 3631.7 | Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T. The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions CrystEngComm, 2009, 11, 1362 |
| 7200836 | CIF | C43 H44 Sn2 | C 1 2/c 1 | 32.89; 7.65; 31.334 90; 103.06; 90 | 7680 | Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T. The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions CrystEngComm, 2009, 11, 1362 |
| 7200837 | CIF | C44 H46 Sn2 | P 1 21/c 1 | 14.356; 7.707; 17.147 90; 97.47; 90 | 1881.1 | Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T. The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions CrystEngComm, 2009, 11, 1362 |
| 7200838 | CIF | C18 H18 N2 O11.49 Zn | P -1 | 5.216; 12.753; 15.346 82.546; 80.707; 87.955 | 998.8 | Zhang, Lei; Lin, Qi-Pu; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen Configuration determination of flexible tetracarboxylate ligands in two supramolecular structures CrystEngComm, 2009, 11, 1201 |
| 7200839 | CIF | C19 H17 N2 O9.5 Zn2 | P -1 | 8.44; 9.794; 12.998 92.785; 108.818; 91.918 | 1014.4 | Zhang, Lei; Lin, Qi-Pu; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen Configuration determination of flexible tetracarboxylate ligands in two supramolecular structures CrystEngComm, 2009, 11, 1201 |
| 7200840 | CIF | C35 H36 Cl N O3 S | P 1 21 1 | 7.8746; 21.825; 17.83 90; 99.62; 90 | 3021.2 | Thun, Juergen; Milius, Wolfgang; Wedel, Bastian; Ridder, Andre; Moersdorf, Peter; Breu, Josef The crystal structure of the API Montelukast CrystEngComm, 2009, 11, 1306 |
| 7200841 | CIF | C6 H8 Br F4 I O2 | P 1 21/c 1 | 9.5983; 5.9716; 9.784 90; 107.41; 90 | 535.1 | Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes CrystEngComm, 2009, 11, 1240 |
| 7200842 | CIF | C4 H8 O2 | P 1 21/n 1 | 5.659; 6.41; 5.892 90; 98.36; 90 | 211.46 | Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes CrystEngComm, 2009, 11, 1240 |
| 7200843 | CIF | C6 H8 F4 I2 O2 | R -3 :H | 8.838; 8.838; 13.532 90; 90; 120 | 915.4 | Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes CrystEngComm, 2009, 11, 1240 |
| 7200844 | CIF | C42 H66 N29 O35 Re U | P 1 21 1 | 15.9084; 14.3646; 16.7141 90; 116.386; 90 | 3421.6 | Thuéry, Pierre Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality CrystEngComm, 2009, 11, 1150 |
| 7200845 | CIF | C42 H80 N32 O55 U4 | C 1 2/c 1 | 29.9954; 17.6794; 20.5253 90; 127.974; 90 | 8580.2 | Thuéry, Pierre Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality CrystEngComm, 2009, 11, 1150 |
| 7200846 | CIF | C44 H68 N28 O35 U2 | C 1 c 1 | 17.8166; 20.4976; 19.134 90; 90.607; 90 | 6987.3 | Thuéry, Pierre Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality CrystEngComm, 2009, 11, 1150 |
| 7200848 | CIF | C4 H2 O4 Zn | C 1 2/c 1 | 8.2406; 5.21314; 11.4415 90; 103.909; 90 | 477.11 | Friščić, Tomislav; Fábián, László Mechanochemical conversion of a metal oxide into coordination polymers and porous frameworks using liquid-assisted grinding (LAG) CrystEngComm, 2009, 11, 743 |
| 7200849 | CIF | C4 H6 O6 Zn | P 1 21/c 1 | 3.3969; 10.34413; 8.80754 90; 95.5452; 90 | 308.031 | Friščić, Tomislav; Fábián, László Mechanochemical conversion of a metal oxide into coordination polymers and porous frameworks using liquid-assisted grinding (LAG) CrystEngComm, 2009, 11, 743 |
| 7200850 | CIF | C10 H7 N O4 Zn | C 1 2/c 1 | 16.4332; 10.7749; 13.784 90; 104.979; 90 | 2357.7 | Friščić, Tomislav; Fábián, László Mechanochemical conversion of a metal oxide into coordination polymers and porous frameworks using liquid-assisted grinding (LAG) CrystEngComm, 2009, 11, 743 |
| 7200851 | CIF | C41 H28 N2 O8 | C 1 2/c 1 | 25.574; 8.6352; 17.905 90; 122.61; 90 | 3330.8 | Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu Organic hydrogen-bonded interpenetrating diamondoid frameworks from modular self-assembly of methanetetrabenzoic acid with linkers CrystEngComm, 2009, 11, 978 |
| 7200852 | CIF | C49 H36 N4 O8 | I 41/a c d :2 | 12.7276; 12.7276; 56.994 90; 90; 90 | 9233 | Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu Organic hydrogen-bonded interpenetrating diamondoid frameworks from modular self-assembly of methanetetrabenzoic acid with linkers CrystEngComm, 2009, 11, 978 |
| 7200853 | CIF | C17 H18 F N3 O3 | P -1 | 7.9606; 8.5798; 10.7739 87.868; 85.153; 88.212 | 732.43 | Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure CrystEngComm, 2009, 11, 1396 |
| 7200854 | CIF | C17 H27.5 F N3 Na0.5 O8 | P -1 | 9.452; 9.591; 11.233 85.67; 99.62; 93.74 | 999.7 | Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure CrystEngComm, 2009, 11, 1396 |
| 7200855 | CIF | C17 H27.5 F N3 Na0.5 O8 | P -1 | 9.391; 9.57; 11.095 85.247; 99.498; 93.272 | 979.1 | Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure CrystEngComm, 2009, 11, 1396 |
| 7200856 | CIF | C17 H27 F N3 Na O8 | P -1 | 9.547; 9.87; 11.109 88.79; 101.42; 90.25 | 1025.8 | Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure CrystEngComm, 2009, 11, 1396 |
| 7200857 | CIF | C34 H54 F2 N6 Na2 O16 | P -1 | 11.065; 13.155; 13.879 90.983; 98.941; 93.181 | 1992 | Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure CrystEngComm, 2009, 11, 1396 |
| 7200858 | CIF | C34 H54 F2 N6 Na2 O16 | P -1 | 9.624; 9.493; 11.471 89.643; 103.304; 88.861 | 1019.6 | Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure CrystEngComm, 2009, 11, 1396 |
| 7200862 | CIF | C8 H8 N4 O2 | P 1 21/c 1 | 12.414; 19.068; 7.19 90; 99.28; 90 | 1680 | Rayat, Sundeep; Alawode, Olajide; Desper, John Intermolecular interactions in the crystal structures of substituted tetrazolones CrystEngComm, 2009, 11, 1892 |
| 7200863 | CIF | C8 H8 N4 O2 | P 1 21/n 1 | 10.1689; 6.9582; 12.1607 90; 104.799; 90 | 831.91 | Rayat, Sundeep; Alawode, Olajide; Desper, John Intermolecular interactions in the crystal structures of substituted tetrazolones CrystEngComm, 2009, 11, 1892 |
| 7200864 | CIF | C9 H10 N4 O2 | P b c a | 8.8329; 13.1354; 16.0027 90; 90; 90 | 1856.69 | Rayat, Sundeep; Alawode, Olajide; Desper, John Intermolecular interactions in the crystal structures of substituted tetrazolones CrystEngComm, 2009, 11, 1892 |
| 7200865 | CIF | C9 H10 N4 O2 | P 21 21 21 | 3.8317; 13.8861; 17.7714 90; 90; 90 | 945.57 | Rayat, Sundeep; Alawode, Olajide; Desper, John Intermolecular interactions in the crystal structures of substituted tetrazolones CrystEngComm, 2009, 11, 1892 |
| 7200866 | CIF | C10 H9 Cl N2 | P 1 21/c 1 | 4.6812; 14.097; 13.296 90; 99.967; 90 | 864.2 | Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T. Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine CrystEngComm, 2009, 11, 1133-1140 |
| 7200867 | CIF | C12 H13 Cl N2 | P 1 21/c 1 | 10.4386; 17.9769; 13.0512 90; 108.987; 90 | 2315.86 | Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T. Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine CrystEngComm, 2009, 11, 1133-1140 |
| 7200868 | CIF | C13 H15 Cl N2 | P b c a | 9.3167; 20.4346; 25.3335 90; 90; 90 | 4823.1 | Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T. Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine CrystEngComm, 2009, 11, 1133-1140 |
| 7200869 | CIF | C11 H10 Cl2 N2 | C 1 c 1 | 4.6442; 17.67; 13.313 90; 100.024; 90 | 1075.8 | Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T. Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine CrystEngComm, 2009, 11, 1133-1140 |
| 7200870 | CIF | C11 H10 Cl N5 | P b c a | 13.0426; 7.8693; 22.6276 90; 90; 90 | 2322.41 | Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T. Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine CrystEngComm, 2009, 11, 1133-1140 |
| 7200871 | CIF | C11 H11 Cl N2 O | P 1 21/n 1 | 4.5721; 14.8383; 14.8932 90; 93.546; 90 | 1008.45 | Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T. Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine CrystEngComm, 2009, 11, 1133-1140 |
| 7200872 | CIF | C13 H15 Cl N2 O | P 1 21/c 1 | 8.929; 15.0394; 9.2127 90; 105.198; 90 | 1193.88 | Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T. Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine CrystEngComm, 2009, 11, 1133-1140 |
| 7200873 | CIF | C13 H15 Cl N2 O | P 1 21 1 | 8.7612; 7.0756; 9.6622 90; 95.644; 90 | 596.06 | Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T. Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine CrystEngComm, 2009, 11, 1133-1140 |
| 7200880 | CIF | C24 H22 Ag2 N5 O14 Sm | P 1 21/c 1 | 16.9103; 24.7509; 6.773 90; 96.082; 90 | 2818.85 | Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains CrystEngComm, 2009, 11, 1006 |
| 7200881 | CIF | C24 H22 Ag2 Eu N5 O14 | P 1 21/c 1 | 16.8877; 24.7375; 6.7716 90; 96.162; 90 | 2812.56 | Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains CrystEngComm, 2009, 11, 1006 |
| 7200882 | CIF | C48 H60 Ag4 N10 O36 Sm2 | P -1 | 7.5461; 13.0618; 17.32 97.189; 92.502; 100.548 | 1661.2 | Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains CrystEngComm, 2009, 11, 1006 |
| 7200883 | CIF | C48 H60 Ag4 Eu2 N10 O36 | P -1 | 7.5268; 13.047; 17.351 97.295; 92.252; 100.496 | 1658.4 | Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains CrystEngComm, 2009, 11, 1006 |
| 7200884 | CIF | C48 H26 Ag12 F50 I2 O29 | P -1 | 13.355; 14.45; 14.685 90.181; 115.534; 115.853 | 2236.5 | Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W. Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon CrystEngComm, 2009, 11, 1061 |
| 7200885 | CIF | C40 H26 Ag10 F24 I2 N2 O20 | P c a 21 | 17.757; 15.0645; 25.115 90; 90; 90 | 6718.3 | Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W. Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon CrystEngComm, 2009, 11, 1061 |
| 7200886 | CIF | C21 H14 Ag7 Br F18 O17 | P -1 | 13.24; 13.503; 14.691 112.816; 98.832; 113.477 | 2067.9 | Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W. Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon CrystEngComm, 2009, 11, 1061 |
| 7200887 | CIF | C38 H22 Ag10 Br2 F24 N2 O20 | P c a 21 | 17.284; 15.081; 24.44 90; 90; 90 | 6370.5 | Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W. Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon CrystEngComm, 2009, 11, 1061 |
| 7200888 | CIF | C20 H9 Ag4 Br F15 N O7 | C 1 2/c 1 | 25.0572; 16.6588; 15.0668 90; 99.086; 90 | 6210.3 | Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W. Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon CrystEngComm, 2009, 11, 1061 |
| 7200889 | CIF | C14 H18 Ag Eu N2 O14 | P 1 21/n 1 | 14.598; 7.3645; 19.757 90; 98.849; 90 | 2098.7 | Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers CrystEngComm, 2009, 11, 1261 |
| 7200890 | CIF | C41 H31 Ag2 Ce N7 O13 | C 1 2/c 1 | 25.244; 10.7134; 18.651 90; 122.111; 90 | 4272.5 | Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers CrystEngComm, 2009, 11, 1261 |
| 7200891 | CIF | C14 H17 Ag N2 O13.5 Pr | P 1 21/c 1 | 14.8009; 10.7176; 12.8757 90; 99.468; 90 | 2014.7 | Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers CrystEngComm, 2009, 11, 1261 |
| 7200892 | CIF | C14 H18 Ag N2 O14 Sm | P 1 21/n 1 | 14.621; 7.3491; 19.765 90; 98.776; 90 | 2098.9 | Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers CrystEngComm, 2009, 11, 1261 |
| 7200893 | CIF | C14 H18 Ag Dy N2 O14 | P 1 21/n 1 | 14.5183; 7.364; 19.696 90; 99.02; 90 | 2079.7 | Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers CrystEngComm, 2009, 11, 1261 |
| 7200894 | CIF | C14 H18 Ag N2 O14 Tb | P 1 21/n 1 | 14.4474; 7.36; 19.48 90; 98.416; 90 | 2049.1 | Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers CrystEngComm, 2009, 11, 1261 |
Back to the search form
Your own data is not in the COD? Deposit it, thanks!