Information card for entry 4314401

Structure parameters

• Formula: C45 H35 Cl N4 Ni O7
• Calculated formula: C45 H35 Cl N4 Ni O7
• Title of publication: Synthesis, Characterization, and Ligand Exchange Reactivity of a Series of First Row Divalent Metal 3-Hydroxyflavonolate Complexes
• Authors of publication: Katarzyna Grubel; Katarzyna Rudzka; Atta M. Arif; Katie L. Klotz; Jason A. Halfen; Lisa M. Berreau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 82 - 96
• a: 18.5881 ± 0.0004 Å
• b: 19.6427 ± 0.0004 Å
• c: 10.4897 ± 0.0002 Å
• α: 90°
• β: 90.4537 ± 0.0011°
• γ: 90°
• Cell volume: 3829.88 ± 0.13 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No