Information card for entry 7025440

Structure parameters

• Formula: C72 H99 Cl Mn8 N30 Na2 O36
• Calculated formula: C72 H78 Cl Mn8 N30 Na2 O36
• Title of publication: Constructing octa- and hexadecanuclear manganese clusters from tetrahedral Mn(III)(3)Mn(II) cores bridged by quinquedentate Schiff base and versatile azide groups.
• Authors of publication: Liu, Dan; Zhou, Qi; Chen, Yan; Yang, Fen; Yu, Yang; Shi, Zhan; Feng, Shouhua
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 23
• Pages of publication: 5504 - 5508
• a: 12.5834 ± 0.0006 Å
• b: 33.1543 ± 0.0012 Å
• c: 24.264 ± 0.002 Å
• α: 90°
• β: 93.784 ± 0.007°
• γ: 90°
• Cell volume: 10100.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1323
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No