Information card for entry 7030609

Structure parameters

• Formula: C40 H37 Cl2 Cu N4 O4.5
• Calculated formula: C40 H37 Cl2 Cu N4 O4.5
• Title of publication: Mononuclear [(BP)2MX]n+ (M = Cu2+, Co2+, Zn2+; X = OH2, Cl−) complexes with a new biphenyl appended N-bidentate ligand: structural, spectroscopic, solution equilibrium and ligand dynamic studies
• Authors of publication: Sabiah, Shahulhameed; Varghese, Babu; Murthy, Narasimha N.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9770 - 9780
• a: 9.342 ± 0.002 Å
• b: 21.138 ± 0.0019 Å
• c: 37.486 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7402 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1449
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7002777
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No