Information card for entry 7017459

Structure parameters

• Formula: C9 H18 Co3 N12 O12 S
• Calculated formula: C9 H14 Co3 N12 O12 S
• Title of publication: Syntheses, structural characterization and properties of transition metal complexes of 5,5'-(1,4-phenylene)bis(1H-tetrazole) (H(2)bdt), 5',5''-(1,1'-biphenyl)-4,4'-diylbis(1H-tetrazole) (H(2)dbdt) and 5,5',5''-(1,3,5-phenylene)tris(1H-tetrazole) (H(3)btt).
• Authors of publication: Ouellette, Wayne; Darling, Kari; Prosvirin, Andrey; Whitenack, Kelly; Dunbar, Kim R.; Zubieta, Jon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12288 - 12300
• a: 7.3246 ± 0.0004 Å
• b: 13.224 ± 0.0007 Å
• c: 22.7669 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2205.2 ± 0.2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No