Information card for entry 4326313

Structure parameters

• Common name: complex1
• Formula: C36 H42 Cl2 O P2 Zn
• Calculated formula: C36 H42 Cl2 O P2 Zn
• SMILES: [Zn]1(Cl)(Cl)[P](C(C)C)(C(C)C)c2cccc(c2)c2cccc3c2oc2c3cccc2c2cccc([P]1(C(C)C)C(C)C)c2
• Title of publication: First-Row Transition-Metal Chloride Complexes of the Wide Bite-Angle DiphosphineiPrDPDBFphos and Reactivity Studies of Monovalent Nickel
• Authors of publication: Elodie E. Marlier; Stephen J. Tereniak; Keying Ding; Jenna E. Mulliken; Connie C. Lu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 9290 - 9299
• a: 9.772 ± 0.003 Å
• b: 10.024 ± 0.003 Å
• c: 17.882 ± 0.006 Å
• α: 80.286 ± 0.005°
• β: 75.748 ± 0.005°
• γ: 85.834 ± 0.005°
• Cell volume: 1672.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0712
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No