Information card for entry 7110413

Structure parameters

• Formula: C75.5 H76 Cl4 Mn5 N30 O26.5
• Calculated formula: C75 H60 Cl4 Mn5 N30 O27
• Title of publication: A novel pentamanganese(II) cluster produced by a controlled self assembly process; an exact match between the coordination algorithm of the metals and the ligand binding site arrangement
• Authors of publication: Matthews, Craig J.; Xu, Zhiqiang; Mandal, Sanat K.; Thompson, Laurence K.; Biradha, Kumar; Poirier, Karen; Zaworotko, Michael J.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 4
• Pages of publication: 347
• a: 13.3249 ± 0.0007 Å
• b: 18.8617 ± 0.0009 Å
• c: 20.9513 ± 0.001 Å
• α: 85.3696 ± 0.0009°
• β: 74.1679 ± 0.001°
• γ: 74.333 ± 0.0009°
• Cell volume: 4877.6 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections: 0.2247
• Weighted residual factors for significantly intense reflections: 0.1473
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No