Information card for entry 4502175

Structure parameters

• Formula: C41 H52 Co N2 O8
• Calculated formula: C41 H52 Co N2 O8
• Title of publication: Interaction of 1,3-Adamantanediacetic Acid (H2ADA) and Ditopic Pyridyl Subunits with Cobalt Nitrate under Hydrothermal Conditions: pH Influence, Crystal Structures, and Their Properties
• Authors of publication: Zhang, Wei-Hong; Wang, Yao-Yu; Lermontova, Elmira Kh.; Yang, Guo-Ping; Liu, Bin; Jin, Jun-Cheng; Dong, Zhe; Shi, Qi-Zhen
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 76
• a: 32.993 ± 0.003 Å
• b: 6.3394 ± 0.0005 Å
• c: 23.0457 ± 0.0017 Å
• α: 90°
• β: 130.831 ± 0.001°
• γ: 90°
• Cell volume: 3647.1 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No