Information card for entry 2241632

Structure parameters

• Chemical name: 1,4-Bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)]
• Formula: C10 H28 Cr4 N4 O14
• Calculated formula: C10 H28 Cr4 N4 O14
• SMILES: C1[NH+](CCC[NH3+])CC[NH+](C1)CCC[NH3+].[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-]
• Title of publication: Crystal structure of 1,4-bis(3-ammoniopropyl)piperazine-1,4-diium bis[dichromate(VI)]
• Authors of publication: Vetrivel, S.; Vinoth, E.; Mullai, R. U.; Aruljothi, R.; NizamMohideen, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 616 - 619
• a: 8.5361 ± 0.0003 Å
• b: 8.6272 ± 0.0003 Å
• c: 8.8576 ± 0.0003 Å
• α: 77.761 ± 0.001°
• β: 72.307 ± 0.001°
• γ: 60.985 ± 0.001°
• Cell volume: 541.81 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes