Crystallography Open Database
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Result: there are 194 entries in the selection
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Searching journal of publication like 'CrystEngComm' volume of publication is 7
COD ID ![]() |
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Cell parameters | Cell volume ![]() |
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7203785 | CIF | C15 H15 Cl10 N3 Pt | P 1 21/n 1 | 9.894; 21.852; 11.64 90; 98.807; 90 | 2486.9 | Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions CrystEngComm, 2005, 7, 350 |
7203794 | CIF | C3 H15 N6 P S | P 63 | 9.1213; 9.1213; 7.1103 90; 90; 120 | 512.31 | Chandrasekhar, Vadapalli; Azhakar, Ramachandran A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3} CrystEngComm, 2005, 7, 346 |
7203795 | CIF | C3 H15 N6 O P | P b c a | 13.226; 9.956; 13.349 90; 90; 90 | 1757.8 | Chandrasekhar, Vadapalli; Azhakar, Ramachandran A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3} CrystEngComm, 2005, 7, 346 |
7206357 | CIF | C29 H24 N4 O12 | I 41/a :2 | 18.2426; 18.2426; 8.5167 90; 90; 90 | 2834.29 | Dominic Laliberté; Thierry Maris; James D. Wuest Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers CrystEngComm, 2005, 7, 158-160 |
7206358 | CIF | C59 H52 N4 O14 S2 | P -4 | 12.114; 12.114; 8.9974 90; 90; 90 | 1320.36 | Dominic Laliberté; Thierry Maris; James D. Wuest Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers CrystEngComm, 2005, 7, 158-160 |
7216054 | CIF | C21 H19 N3 O | P 1 21/n 1 | 5.6534; 25.5246; 12.1459 90; 94.31; 90 | 1747.71 | Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen J. Polymorphs of 4′-(hex-5-ynyloxy)-2,2′:6′,2″-terpyridine: structural diversity arising from weak intermolecular interactions in the solid state CrystEngComm, 2005, 7, 599 |
7216055 | CIF | C21 H19 N3 O | C 1 2/c 1 | 35.6129; 5.4646; 20.5952 90; 120.439; 90 | 3455.6 | Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen J. Polymorphs of 4′-(hex-5-ynyloxy)-2,2′:6′,2″-terpyridine: structural diversity arising from weak intermolecular interactions in the solid state CrystEngComm, 2005, 7, 599 |
7216056 | CIF | C16 H13 Cl5 Co N4 | P -1 | 6.2231; 10.3057; 15.4812 75.295; 79.299; 74.715 | 918.84 | Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions CrystEngComm, 2005, 7, 633 |
7216057 | CIF | C50 H39 N2 O10.5 P2 | P 1 21/n 1 | 19.004; 12.519; 19.141 90; 110.093; 90 | 4277 | Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions CrystEngComm, 2005, 7, 633 |
7216058 | CIF | C18 H18 Cl2 N2 O2 | P -1 | 4.9715; 9.162; 10.233 109.757; 92.325; 98.082 | 432.4 | Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions CrystEngComm, 2005, 7, 633 |
7216059 | CIF | C16 H16 Cl2 N4 O2 | P -1 | 4.9382; 9.1344; 10.2335 110.667; 91.904; 98.093 | 425.88 | Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions CrystEngComm, 2005, 7, 633 |
7216060 | CIF | C10 H18 N2 O10 P2 | P 1 21/c 1 | 18.9374; 9.0233; 9.4739 90; 92.801; 90 | 1616.9 | Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions CrystEngComm, 2005, 7, 633 |
7216061 | CIF | C8 H14 N4 O S | P -1 | 6.45; 9.401; 9.965 76.674; 76.909; 70.19 | 545.9 | Chopra, Deepak; Mohan, T. P.; Rao, K. Sundaraja; Row, T. N. Guru Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions CrystEngComm, 2005, 7, 374 |
7216062 | CIF | C8 H14 N4 O S | P 1 21/c 1 | 14.182; 9.295; 8.723 90; 104.309; 90 | 1114.2 | Chopra, Deepak; Mohan, T. P.; Rao, K. Sundaraja; Row, T. N. Guru Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions CrystEngComm, 2005, 7, 374 |
7216063 | CIF | C4 H3 N O3 | P 1 21/c 1 | 7.7407; 5.5405; 10.4926 90; 103.643; 90 | 437.303 | Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L. Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test CrystEngComm, 2005, 7, 421 |
7216064 | CIF | C4 H5 N O4 | P n m a | 14.4737; 6.003; 6.3626 90; 90; 90 | 552.818 | Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L. Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test CrystEngComm, 2005, 7, 421 |
7216065 | CIF | C4 H4 N2 O3 | P -1 | 4.6195; 7.0493; 7.3452 88.169; 81.504; 86.245 | 235.998 | Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L. Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test CrystEngComm, 2005, 7, 421 |
7216066 | CIF | C48 H44 B Cu6 F4 I5 N12 O S6 | P 63 | 13.5662; 13.5662; 20.1867 90; 90; 120 | 3217.5 | Peng, Rong; Wu, Tao; Li, Dan A chiral coordination polymer containing copper(i) iodide layer composed of intersecting [CuI]n helices CrystEngComm, 2005, 7, 595 |
7216067 | CIF | C43 H29 Cl7 N8 O0.67 Zn | P -1 | 13.4415; 14.8653; 18.7182 72.018; 71.597; 69.434 | 3239.3 | Ring, David J.; Aragoni, M. Carla; Champness, Neil R.; Wilson, Claire A coordination polymer supramolecular isomer formed from a single building block: an unexpected porphyrin ribbon constructed from zinc(tetra(4-pyridyl)porphyrin) CrystEngComm, 2005, 7, 621 |
7216068 | CIF | C41.33 H25.33 Cl4 N8 Zn | R -3 :H | 33.072; 33.072; 9.285 90; 90; 120 | 8795 | Ring, David J.; Aragoni, M. Carla; Champness, Neil R.; Wilson, Claire A coordination polymer supramolecular isomer formed from a single building block: an unexpected porphyrin ribbon constructed from zinc(tetra(4-pyridyl)porphyrin) CrystEngComm, 2005, 7, 621 |
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