Information card for entry 4100682

Structure parameters

• Formula: C20 H30 Cl N O2 Ti
• Calculated formula: C20 H30 Cl N O2 Ti
• SMILES: [Ti]12345678(Cl)(ON9C(CC(OC)CC9(C)C)(C)C)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Electrochemical synthesis, crystal structure, and photomagnetic properties of a three-dimensional cyano-bridged copper-molybdenum complex
• Authors of publication: Toshiya Hozumi; Kazuhito Hashimoto; Ohkoshi Shin-ichi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 14.402 ± 0.002 Å
• b: 9.5935 ± 0.0017 Å
• c: 15.103 ± 0.003 Å
• α: 90°
• β: 107.905 ± 0.003°
• γ: 90°
• Cell volume: 1985.6 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No