Information card for entry 2219725

Structure parameters

• Chemical name: Hexa-μ~2~-acetato-κ^12^<i>O</i>:<i>O</i>'-μ~3~-oxido-\ tris[aquachromium(III)] nitrate acetic acid solvate
• Formula: C14 H28 Cr3 N O21
• Calculated formula: C14 H28 Cr3 N O21
• SMILES: [Cr]1234([O]=C(O[Cr]56([O]=C(O1)C)(OC(=[O][Cr](OC(=[O]5)C)([O]=C(O2)C)(OC(=[O]3)C)([O]46)[OH2])C)[OH2])C)[OH2].O=C(O)C.O=N(=O)[O-]
• Title of publication: Hexa-μ~2~-acetato-κ^12^<i>O</i>:<i>O</i>'-μ~3~-oxido-tris[aquachromium(III)] nitrate acetic acid solvate
• Authors of publication: Maah, Mohd Jamil; Abdullah, Che Ibrahim; Gan, Seng Neon; Mohd Jelan, Aishah; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1310
• a: 11.7034 ± 0.0001 Å
• b: 14.5102 ± 0.0002 Å
• c: 15.0427 ± 0.0002 Å
• α: 90°
• β: 91.532 ± 0.001°
• γ: 90°
• Cell volume: 2553.62 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.073
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes