Information card for entry 7218018

Structure parameters

• Formula: C23 H26 Mn N2 O5
• Calculated formula: C23 H26 Mn N2 O5
• Title of publication: Auxiliary ligand-aided tuning of aggregation of transition metal benzoates: isolation of four different types of coordination polymers
• Authors of publication: Banerjee, Subarna; Rajakannu, Palanisamy; Butcher, Raymond J.; Murugavel, Ramaswamy
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 8429
• a: 13.211 ± 0.008 Å
• b: 11.69 ± 0.007 Å
• c: 14.445 ± 0.009 Å
• α: 90°
• β: 99.835 ± 0.011°
• γ: 90°
• Cell volume: 2198 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0954
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.194
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7217059
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No