Information card for entry 7012100

Structure parameters

• Formula: C26.5 H33 Cl2 N4 Ni O5
• Calculated formula: C26.5 H26 Cl1.5 N4 Ni O2.5 Ow3
• Title of publication: Structures and properties of 6-aryl substituted tris(2-pyridylmethyl)amine transition metal complexes
• Authors of publication: He, Zhicong; Craig, Donald C.; Colbran, Stephen B.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4224
• a: 9.83 ± 0.006 Å
• b: 12.202 ± 0.007 Å
• c: 12.865 ± 0.008 Å
• α: 107.78 ± 0.03°
• β: 92.45 ± 0.04°
• γ: 95.74 ± 0.03°
• Cell volume: 1457.6 ± 1.5 ų
• Cell temperature: 294 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 significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No