Information card for entry 7009807

Structure parameters

• Common name: 2-3PhOMe
• Formula: C41 H40 Co N6 O9
• Calculated formula: C41 H40 Co N6 O9
• Title of publication: Coexisting covalent and non-covalent planar networks in the crystal structures of {[M(bipy)2(NO3)2]·arene}n (M = Ni, 1; Co, 2; arene = chlorobenzene, o-dichlorobenzene, benzene, nitrobenzene, toluene or anisole) †
• Authors of publication: Biradha, Kumar; Mondal, Arunendu; Moulton, Brian; Zaworotko, Michael J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 21
• Pages of publication: 3837
• a: 22.8114 ± 0.0011 Å
• b: 15.4407 ± 0.0007 Å
• c: 11.4207 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4022.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections: 0.1609
• Weighted residual factors for significantly intense reflections: 0.1501
• Goodness-of-fit parameter for all reflections: 1.134
• Goodness-of-fit parameter for significantly intense reflections: 1.205
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No