Information card for entry 7002963

Structure parameters

• Formula: C37 H38 Cl Mn2 N7 O13 S2
• Calculated formula: C37 H38 Cl Mn2 N7 O13 S2
• 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: 10.37 ± 0.0004 Å
• b: 13.7747 ± 0.0006 Å
• c: 28.8164 ± 0.0012 Å
• α: 90°
• β: 92.712 ± 0.002°
• γ: 90°
• Cell volume: 4111.6 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0643
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No