Information card for entry 4067403

Structure parameters

• Formula: C37 H31 Cl5 N2 Ni P2
• Calculated formula: C37 H31 Cl5 N2 Ni P2
• SMILES: c1(ccccc1)[P]1(c2ccccc2)N(c2ccccc2)N(c2ccccc2)[P](c2ccccc2)(c2ccccc2)[Ni]1(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Synthesis, Coordination Chemistry, and Catalysis of the First 1,2-Bis(diphenylphosphino)-1,2-diphenylhydrazine, Ph2PN(Ph)N(Ph)PPh2†
• Authors of publication: Aluri, Bhaskar R.; Peulecke, Normen; Müller, Bernd H.; Peitz, Stephan; Spannenberg, Anke; Hapke, Marko; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 226
• a: 9.4227 ± 0.0002 Å
• b: 18.417 ± 0.0003 Å
• c: 21.3784 ± 0.0005 Å
• α: 90°
• β: 93.253 ± 0.0018°
• γ: 90°
• Cell volume: 3703.98 ± 0.13 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0381
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No