Information card for entry 7701363

Structure parameters

• Formula: C65 H61 Cl5 Mn N9 O12
• Calculated formula: C65 H61 Cl5 Mn N9 O12
• Title of publication: Ab Initio Powder X-Ray Diffraction Structural Analysis of Bispidine Based 1D Coordination Polymer: Insight into their Guest Responsive Behaviour.
• Authors of publication: Lippi, Martina; Cametti, Massimo; Marti-Rujas, Javier
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 23.669 ± 0.002 Å
• b: 26.279 ± 0.002 Å
• c: 10.8841 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6769.9 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2417
• Weighted residual factors for all reflections included in the refinement: 0.252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No