Information card for entry 7014005

Structure parameters

• Formula: C40 H50 N22 Ni2 O22
• Calculated formula: C40 H50.5 N22 Ni2 O22.5
• Title of publication: Self-assembled polynuclear clusters derived from some flexible polydentate dihydrazide ligands.
• Authors of publication: Zhao, Liang; Niel, Virginie; Thompson, Laurence K.; Xu, Zhiqiang; Milway, Victoria A.; Harvey, Rosemary G.; Miller, David O.; Wilson, Claire; Leech, Michael; Howard, Judith A. K.; Heath, Sarah L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1446 - 1455
• a: 9.0804 ± 0.0005 Å
• b: 11.3912 ± 0.0007 Å
• c: 14.2513 ± 0.0008 Å
• α: 104.222 ± 0.001°
• β: 92.649 ± 0.001°
• γ: 90.355 ± 0.001°
• Cell volume: 1427.17 ± 0.14 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No