Information card for entry 7218014

Structure parameters

• Formula: C68 H76 N4 O12 Zn2
• Calculated formula: C68 H76 N4 O12 Zn2
• 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: 31.01 ± 0.07 Å
• b: 9.72 ± 0.02 Å
• c: 20.78 ± 0.05 Å
• α: 90°
• β: 101.99 ± 0.03°
• γ: 90°
• Cell volume: 6127 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7217055
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No