Information card for entry 4109350

Structure parameters

• Formula: C54 H85 Cl4 N6 Ni3 O34
• Calculated formula: C54 H85 Cl4 N6 Ni3 O34
• SMILES: c12c(c3c(c(c1C)C[NH+]1CCC[C@@H]1C1=[O][Ni]456(OC([C@H]7CCC[NH+]7C3)=[O][Ni]378(OC([C@H]9CCC[NH+]9C2)=[O][Ni]2(O1)([O]=C([C@H]1CCC[NH+]1Cc1c(c(c(c(c1C)C[NH+]1CCC[C@@H]1C(O5)=[O]2)C)C[NH+]1CCC[C@@H]1C(O7)=[O]4)C)O3)([O]68)[OH2])[OH2])[OH2])C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Dielectric Anisotropy of a Homochiral Trinuclear Nickel(II) Complex
• Authors of publication: Da-Wei Fu; Yu-Mei Song; Guo-Xi Wang; Qiong Ye; Ren-Gen Xiong; Tomoyuki Akutagawa; Takayoshi Nakamura; Philip Wai Hong Chan; Songping D. Huang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5346 - 5347
• a: 13.554 ± 0.005 Å
• b: 12.809 ± 0.005 Å
• c: 22.151 ± 0.008 Å
• α: 90°
• β: 99.081 ± 0.005°
• γ: 90°
• Cell volume: 3798 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No