Information card for entry 4338602

Structure parameters

• Formula: C16 H27 Cl2 Mn N3 O8
• Calculated formula: C16 H27 Cl2 Mn N3 O8
• SMILES: [Mn]1234(Cl)([O]5CC[O]1CC[N]3=C(c1[n]2c(ccc1)C(=[N]4CC5)C)C)[OH2].Cl(=O)(=O)(=O)[O-].OC
• Title of publication: Rational Design and Assembly of a New Series of Cyanide-Bridged Fe^III^‒Mn^II^ One-Dimensional Single Chain Complexes: Synthesis, Crystal Structures, and Magnetic Properties
• Authors of publication: Zhang, Daopeng; Wang, Hailong; Chen, Yuting; Ni, Zhong-Hai; Tian, Laijin; Jiang, Jianzhuang
• Journal of publication: Inorganic chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5488 - 5496
• a: 7.1991 ± 0.0006 Å
• b: 11.6817 ± 0.001 Å
• c: 14.5535 ± 0.0011 Å
• α: 69.366 ± 0.001°
• β: 81.156 ± 0.001°
• γ: 85.899 ± 0.001°
• Cell volume: 1131.59 ± 0.16 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No