Information card for entry 4322017

Structure parameters

• Formula: C14 H26 N6 Ni O3 P2
• Calculated formula: C14 H26 N6 Ni O3 P2
• SMILES: C(#[O])[Ni](C#[O])([P]12CN3CN(C1)CN(C2)C3)[P]12CN3CN(C1)CN(C2)C3.O
• Title of publication: Water-Soluble Organometallic Compounds. 7.1 Further Studies of 1,3,5-Triaza-7-Phosphaadamantane Derivatives of Group 10 Metals, Including Metal Carbonyls and Hydrides
• Authors of publication: Donald J. Darensbourg; Jeffrey B. Robertson; David L. Larkins; Joseph H. Reibenspies
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2473 - 2481
• a: 23.046 ± 0.005 Å
• b: 7.508 ± 0.0015 Å
• c: 23.808 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4119.5 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections: 0.2465
• Weighted residual factors for significantly intense reflections: 0.2279
• Goodness-of-fit parameter for all reflections: 1.981
• Goodness-of-fit parameter for significantly intense reflections: 2.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No