Information card for entry 7002732

Structure parameters

• Formula: C9 H23 Cl N10 Ni O2
• Calculated formula: C9 H23 Cl N10 Ni O2
• SMILES: n12nnnc1c1nccc[n]1[Ni]132([NH2]CC[NH2]1)[NH2]CC[NH2]3.O.O.[Cl-]
• Title of publication: Influence of metal ions, coligands and reaction conditions on the structural versatility and properties of 5-pyrimidyl-tetrazolate containing complexes
• Authors of publication: Rodríguez-Diéguez, Antonio; Mota, Antonio J.; Seco, José M.; Palacios, María A.; Romerosa, Antonio; Colacio, Enrique
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9578 - 9586
• a: 8.5313 ± 0.0006 Å
• b: 8.8434 ± 0.0006 Å
• c: 12.5234 ± 0.0008 Å
• α: 94.776 ± 0.001°
• β: 108.305 ± 0.001°
• γ: 105.428 ± 0.001°
• Cell volume: 850.22 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No