Information card for entry 8102398

Structure parameters

• Formula: C15 H27 I Ni O3 P2
• Calculated formula: C15 H27 I Ni O3 P2
• SMILES: [Ni]1(Oc2c(cccc2OC)C1=O)([P](C)(C)C)([P](C)(C)C)(I)C
• Title of publication: Crystal structure of mer-trans-iodomethyl-(3-methoxy-2-oxobenzoyl)-bis(trimethylphosphine)nickel(II), Ni[(P(CH3)3)2(C8H6O3)CH3]I
• Authors of publication: Qibao Wang; Ruifang Ding; Xiangao Quan; Daodong Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 89
• a: 11.3974 ± 0.0008 Å
• b: 13.0518 ± 0.0007 Å
• c: 13.7797 ± 0.0009 Å
• α: 90°
• β: 91.323 ± 0.005°
• γ: 90°
• Cell volume: 2049.3 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1499
• Residual factor for significantly intense reflections: 0.0847
• Weighted residual factors for significantly intense reflections: 0.2504
• Weighted residual factors for all reflections included in the refinement: 0.2846
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No