Information card for entry 4322931

Structure parameters

• Formula: C14 H30 Cl Ni O6 P3
• Calculated formula: C14 H30 Cl Ni O6 P3
• SMILES: [Ni](Cl)(P12(OC(=O)C(O1)(C)C)OC(=O)C(O2)(C)C)([P](C)(C)C)[P](C)(C)C
• Title of publication: Synthesis and Crystal Structure of the Nickel(II) Phosphoranide Complex trans-(PMe~3~)~2~[(C~4~H~6~O~3~)~2~P-P]NiCl
• Authors of publication: Richard Faw; Craig D. Montgomery; Steven J. Rettig; Bryn Shurmer
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 4136 - 4138
• a: 17.8221 ± 0.0007 Å
• b: 9.3525 ± 0.001 Å
• c: 13.304 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2217.5 ± 0.3 ų
• Cell temperature: 180.2 K
• Ambient diffraction temperature: 180.2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections: 0.0717
• Goodness-of-fit parameter for all reflections: 1.365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.365
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No