Information card for entry 4345866

Structure parameters

• Formula: C38 H28 Mn3 N10 O4
• Calculated formula: C38 H28 Mn3 N10 O4
• Title of publication: Zero in-Plane Thermal Expansion in Guest-Tunable 2D Coordination Polymers.
• Authors of publication: Ohtani, Ryo; Grosjean, Arnaud; Ishikawa, Ryuta; Yamamoto, Riho; Nakamura, Masaaki; Clegg, Jack K.; Hayami, Shinya
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 6225 - 6233
• a: 14.405 ± 0.004 Å
• b: 14.405 ± 0.004 Å
• c: 18.418 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3821.8 ± 1.8 ų
• Cell temperature: 400 K
• Ambient diffraction temperature: 400 K
• Number of distinct elements: 5
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.1328
• Residual factor for significantly intense reflections: 0.1068
• Weighted residual factors for significantly intense reflections: 0.2107
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.346
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No