Information card for entry 4311637

Structure parameters

• Chemical name: cis-(Adeninato-κN^9^)chlorobis(ethane-1,2-diamine)cobalt(III) Chloride Methanol Solvate
• Formula: C10 H24 Cl2 Co N9 O
• Calculated formula: C10 H24 Cl2 Co N9 O
• SMILES: [Co]12(Cl)(n3c4ncnc(N)c4nc3)([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Cl-].OC
• Title of publication: Cobalt(III) Complexes of Monodentate N(9)-Bound Adeninate (ade-), [Co(ade-κN9)Cl(en)2]+ (en = 1,2-Diaminoethane): Syntheses, Crystal Structures, and Protonation Behaviors of the Geometrical Isomers
• Authors of publication: Takayoshi Suzuki; Yoko Hirai; Hideaki Monjushiro; Sumio Kaizaki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6435 - 6444
• a: 23.367 ± 0.005 Å
• b: 7.852 ± 0.002 Å
• c: 19.576 ± 0.004 Å
• α: 90°
• β: 102.751 ± 0.015°
• γ: 90°
• Cell volume: 3503.2 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No