Information card for entry 2232215

Structure parameters

• Chemical name: Hexa-μ~2~-acetato-κ^12^<i>O</i>:<i>O</i>'-(azido-κ<i>N</i>)bis(methanol- κ<i>O</i>)-μ~3~-oxido-trichromium(III) methanol monosolvate
• Formula: C15 H30 Cr3 N3 O16
• Calculated formula: C15 H30 Cr3 N3 O16
• SMILES: C1(C)=[O][Cr]234([O]5[Cr]6(N=N#N)(O1)([O]=C(C)O[Cr]5([O]=C(C)O2)(OC(C)=[O]6)([O]=C(C)O4)[OH]C)OC(C)=[O]3)[OH]C.CO
• Title of publication: Hexa-μ~2~-acetato-κ^12^<i>O</i>:<i>O</i>'-(azido-κ<i>N</i>)bis(methanol-κ<i>O</i>)-μ~3~-oxido-trichromium(III) methanol monosolvate
• Authors of publication: Jiang, Guo-Qing; Li, Jian-Hua; Wang, Miao; Shi, Yu-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1483
• a: 21.165 ± 0.005 Å
• b: 10.609 ± 0.003 Å
• c: 15.641 ± 0.004 Å
• α: 90°
• β: 130.484 ± 0.004°
• γ: 90°
• Cell volume: 2671.2 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0704
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes