Information card for entry 7015324

Structure parameters

• Formula: C31 H73.5 N16 Ni5.25 O39
• Calculated formula: C28 H30 N16 Ni5.25 O27.5
• Title of publication: Complexes of ditopic carbo- and thio-carbohydrazone ligands‒mononuclear, 1D chain, dinuclear and tetranuclear examples.
• Authors of publication: Tandon, Santokh S.; Dul, Marie-Claire; Lee, John L.; Dawe, Louise N.; Anwar, Muhammad U.; Thompson, Laurence K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3466 - 3475
• a: 28.4916 ± 0.0008 Å
• b: 28.4916 ± 0.0008 Å
• c: 30.0145 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 21100.6 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No