Information card for entry 7018005

Structure parameters

• Formula: C65 H76 Cl4 Mn2 N12 O21
• Calculated formula: C65 H76 Cl4 Mn2 N12 O21
• Title of publication: Influence of second sphere hydrogen bonding interaction on a manganese(ii)-aquo complex.
• Authors of publication: Ghachtouli, Sanae El; Guillot, Régis; Dorlet, Pierre; Anxolabéhère-Mallart, Elodie; Aukauloo, Ally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 1675 - 1677
• a: 9.0226 ± 0.0007 Å
• b: 16.622 ± 0.0017 Å
• c: 25.429 ± 0.003 Å
• α: 90°
• β: 100.063 ± 0.002°
• γ: 90°
• Cell volume: 3755 ± 0.7 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1387
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No