Information card for entry 7009679

Structure parameters

• Formula: C10 H10 Cl N2 O4
• Calculated formula: C10 H10 Cl N2 O4
• Title of publication: Synthesis and crystal structure of an infinite one-dimensional chain containing a poly-metallocage of MnII with 4,4'-bis(imidazol-1-ylmethyl)biphenyl
• Authors of publication: Fei, Bao-Li; Sun, Wei-Yin; Zhang, Yan-An; Yu, Kai-Bei; Tang, Wen-Xia
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2345
• a: 4.895 ± 0.001 Å
• b: 15.164 ± 0.002 Å
• c: 14.904 ± 0.002 Å
• α: 90°
• β: 97.21 ± 0.01°
• γ: 90°
• Cell volume: 1097.5 ± 0.3 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.2276
• Weighted residual factors for all reflections included in the refinement: 0.2494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No