Information card for entry 4340747

Structure parameters

• Formula: C47.5 H39.5 N2 Ni O2
• Calculated formula: C47.5 H39.5 N2 Ni O2
• Title of publication: Donor-Acceptor Ligand-to-Ligand Charge-Transfer Coordination Complexes of Nickel(II).
• Authors of publication: Kramer, Wesley W.; Cameron, Lindsay A.; Zarkesh, Ryan A.; Ziller, Joseph W.; Heyduk, Alan F.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 16
• Pages of publication: 8825 - 8837
• a: 11.7093 ± 0.0006 Å
• b: 19.2228 ± 0.001 Å
• c: 20.4554 ± 0.0011 Å
• α: 105.105 ± 0.0007°
• β: 103.024 ± 0.0007°
• γ: 107.297 ± 0.0007°
• Cell volume: 4008.5 ± 0.4 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No