Information card for entry 7002958

Structure parameters

• Formula: C68 H77 Cl2 Mn2 N15 O23 S4
• Calculated formula: C68 H77 Cl2 Mn2 N15 O23 S4
• Title of publication: Coordinative flexibility in an acyclic bis(sulfonamide) ligand
• Authors of publication: Veltzé, Sune; Egdal, Rune Kirk; Johansson, Frank B.; Bond, Andrew D.; McKenzie, Christine J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10495 - 10504
• a: 13.1117 ± 0.0007 Å
• b: 16.4295 ± 0.0007 Å
• c: 19.0495 ± 0.0012 Å
• α: 77.147 ± 0.002°
• β: 86.282 ± 0.002°
• γ: 80.932 ± 0.001°
• Cell volume: 3948.9 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No