Information card for entry 7022405

Structure parameters

• Common name: [Ni(dedmpza)(N3)2]2.3/2H2O)
• Formula: C56 H98 N44 Ni4 O3
• Calculated formula: C56 H98 N44 Ni4 O3
• Title of publication: Metal ions directing the geometry and nuclearity of azido-metal(II) complexes derived from bis(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)amine.
• Authors of publication: Massoud, Salah S.; Louka, Febee R.; Obaid, Yasser K.; Vicente, Ramon; Ribas, Joan; Fischer, Roland C.; Mautner, Franz A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 3968 - 3978
• a: 21.732 ± 0.003 Å
• b: 10.561 ± 0.0013 Å
• c: 15.831 ± 0.002 Å
• α: 90°
• β: 92.25 ± 0.02°
• γ: 90°
• Cell volume: 3630.6 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No