Information card for entry 7028467

Structure parameters

• Formula: C34 H40 Cl N14 Na Ni2 O9
• Calculated formula: C34 H40 Cl N14 Na Ni2 O9
• SMILES: [Ni]12345[O]6[Na]7([O]8[Ni]9%10([n]%11c(c%12[n]9n1nn%12)cccc%11)(n1[n]4c(nn1)c1[n]3cccc1)[N](=Cc1c8c([O]7C)ccc1)CC[NH]%10C)([O](c1c6c(C=[N]2CC[NH]5C)ccc1)C)[OH2].Cl(=O)(=O)(=O)[O-]
• 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: 10.8601 ± 0.0003 Å
• b: 20.9255 ± 0.0005 Å
• c: 22.4384 ± 0.0006 Å
• α: 90°
• β: 95.719 ± 0.001°
• γ: 90°
• Cell volume: 5073.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No