Information card for entry 2204268

Structure parameters

• Common name: Piperazinium dichromate(VI)
• Chemical name: Piperazinium dichromate(VI)
• Formula: C4 H12 Cr2 N2 O7
• Calculated formula: C4 H12 Cr2 N2 O7
• SMILES: C1[NH2+]CC[NH2+]C1.O=[Cr]([O-])(=O)O[Cr](=O)(=O)[O-]
• Title of publication: Piperazinium dichromate(VI)
• Authors of publication: Srinivasan, Bikshandarkoil R.; Naik, Ashish R.; Näther, Christian; Bensch, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1384 - m1386
• a: 11.654 ± 0.002 Å
• b: 7.8702 ± 0.0006 Å
• c: 10.855 ± 0.002 Å
• α: 90°
• β: 93.42 ± 0.01°
• γ: 90°
• Cell volume: 993.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0368
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No