Information card for entry 2201054

Structure parameters

• Chemical name: Bis[1,2-bis(diphenylphosphino)ethene)]nickel(II) diperchlorate
• Formula: C52 H44 Cl2 Ni O8 P4
• Calculated formula: C52 H44 Cl2 Ni O8 P4
• SMILES: C1=C[P]([Ni]2([P]1(c1ccccc1)c1ccccc1)[P](C=C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Bis[1,2-bis(diphenylphosphino)ethene]nickel(II) diperchlorate
• Authors of publication: Li, Yi-Zhi; Liu, Jia-Cheng; Qu, Jian-Qiang; Wang, Liu-Fang; Xia, Chun-Gu; Niu, Jian-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: m237 - m238
• a: 10.845 ± 0.001 Å
• b: 16.198 ± 0.001 Å
• c: 13.198 ± 0.001 Å
• α: 90°
• β: 95.26 ± 0.01°
• γ: 90°
• Cell volume: 2308.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0365
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes