Information card for entry 7217053

Structure parameters

• Formula: C34 H38 Cu N2 O6
• Calculated formula: C34 H38 Cu N2 O6
• SMILES: [Cu]1([n]2cccc3c2c2[n]1cccc2cc3)(OC(=O)c1ccc(cc1)C(C)(C)C)(OC(=O)c1ccc(cc1)C(C)(C)C)[OH2].O
• 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: 7.8156 ± 0.0008 Å
• b: 10.3153 ± 0.0017 Å
• c: 20.747 ± 0.002 Å
• α: 101.272 ± 0.011°
• β: 100.209 ± 0.008°
• γ: 97.106 ± 0.012°
• Cell volume: 1592.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No