Information card for entry 7039347

Structure parameters

• Formula: C26 H40 Cl N9 Ni O3.5
• Calculated formula: C26 H40 Cl N9 Ni O3.5
• SMILES: [Ni]123(ON(=[O]1)=O)([n]1c([nH]c(C)c1Cc1[n]2c([nH]c1C)CC)CC)[n]1c([nH]c(C)c1Cc1[n]3c([nH]c1C)CC)CC.[Cl-].[Cl-].O
• Title of publication: Reductive nitrosylation of nickel(ii) complex by nitric oxide followed by nitrous oxide release.
• Authors of publication: Ghosh, Somnath; Deka, Hemanta; Dangat, Yuvraj B.; Saha, Soumen; Gogoi, Kuldeep; Vanka, Kumar; Mondal, Biplab
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 25
• Pages of publication: 10200 - 10208
• a: 9.7243 ± 0.0004 Å
• b: 33.0698 ± 0.0017 Å
• c: 9.7619 ± 0.0005 Å
• α: 90°
• β: 97.492 ± 0.003°
• γ: 90°
• Cell volume: 3112.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1297
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1873
• Weighted residual factors for all reflections included in the refinement: 0.2342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No