Information card for entry 4309245

Structure parameters

• Formula: C42 H88 Cl8 N16 Ni4 O12
• Calculated formula: C36 H74 Cl8 N14 Ni4 O10
• SMILES: C1C(C)=[N](O)[Ni]23([N](=C(C[N]12CCC[N]12CC(=[N](O)[Ni]2([N](O)=C(C1)C)([O]=CN(C)C)(Cl)Cl)C)C)O)(Cl)[Cl][Ni]12([N](=C(C[N]2(CC(C)=[N]1O)CCC[N]12CC(=[N](O)[Ni]2([N](O)=C(C1)C)([O]=CN(C)C)(Cl)Cl)C)C)O)([Cl]3)Cl
• Title of publication: Anion-Controlled Nuclearity in Nickel Complexes with Potentially Dinucleating, Poly(oxime) Amine Ligands
• Authors of publication: Elizabeth A. Deters; Michael J. Goldcamp; Jeanette A. Krause Bauer; Michael J. Baldwin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5222 - 5228
• a: 12.5347 ± 0.0005 Å
• b: 12.5403 ± 0.0005 Å
• c: 14.3504 ± 0.0006 Å
• α: 67.348 ± 0.001°
• β: 69.705 ± 0.001°
• γ: 81.549 ± 0.001°
• Cell volume: 1952.25 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0855
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No