Information card for entry 7028466

Structure parameters

• Formula: C18 H21 N7 Ni O2
• Calculated formula: C18 H21 N7 Ni O2
• Title of publication: Formation of bis(μ-tetrazolato)dinickel(ii) complexes with N,N,O-donor Schiff bases via in situ 1,3-dipolar cyclo-additions: isolation of a novel bi-cyclic trinuclear nickel(ii)-sodium(i)-nickel(ii) complex.
• Authors of publication: Das, Mithun; Chatterjee, Sudipta; Harms, Klaus; Mondal, Tapan Kumar; Chattopadhyay, Shouvik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2936 - 2947
• a: 12.9315 ± 0.0015 Å
• b: 14.2046 ± 0.0012 Å
• c: 11.3055 ± 0.0013 Å
• α: 90°
• β: 113.218 ± 0.009°
• γ: 90°
• Cell volume: 1908.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No