Information card for entry 7009799

Structure parameters

• Common name: 1-2PhCl
• Formula: C58 H26 Cl2 N6 Ni O6
• Calculated formula: C32 H26 Cl2 N6 Ni O6
• 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: 21.678 ± 0.003 Å
• b: 11.4111 ± 0.001 Å
• c: 12.9139 ± 0.0016 Å
• α: 90°
• β: 103.401 ± 0.011°
• γ: 90°
• Cell volume: 3107.5 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.054
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 4.35
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No