Information card for entry 7009416

Structure parameters

• Formula: C69 H76 K N2 Ni2 O9 P3 Pb0
• Calculated formula: C69 H76 K N2 Ni2 O9 P3
• SMILES: [Ni]12([Ni]([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P]1(c1ccccc1)c1ccccc1)(C#[O])C2=O)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O].[K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9
• Title of publication: Two new bimetallic phosphido carbonyl complexes of nickel(0): [Ni2(CO)2(PPh3)2(μ-CO)(μ-PPh2)]− and [Ni2(CO)4(μ-PPh2)2]2−
• Authors of publication: Keşanlı, Banu; Gardner, Donna Rae; Scott, Brian; Eichhorn, Bryan W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 1291
• a: 13.276 ± 0.001 Å
• b: 25.75 ± 0.002 Å
• c: 19.392 ± 0.002 Å
• α: 90°
• β: 91.46°
• γ: 90°
• Cell volume: 6627.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0864
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections: 0.1352
• Weighted residual factors for significantly intense reflections: 0.1167
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for significantly intense reflections: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No