Information card for entry 1500010

Structure parameters

• Formula: C4 H18 Co N7 O8
• Calculated formula: C4 H18 Co N7 O8
• SMILES: [Co]([NH3])(N(=O)=O)(N(=O)=O)([NH3])(N(=O)=O)N(=O)=O.C[N+](C)(C)C
• Title of publication: Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl
• Authors of publication: Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós
• Journal of publication: Journal of Molecular Structure
• Year of publication: 2006
• Journal volume: 784
• Pages of publication: 222 - 227
• a: 6.1926 ± 0.0007 Å
• b: 18.248 ± 0.003 Å
• c: 6.2335 ± 0.0006 Å
• α: 90°
• β: 90.078 ± 0.007°
• γ: 90°
• Cell volume: 704.41 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2891
• Weighted residual factors for all reflections included in the refinement: 0.2981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No