Information card for entry 2229448

Structure parameters

• Chemical name: Bis(cytosinium) aquapentachloridoindate(III)
• Formula: C8 H14 Cl5 In N6 O3
• Calculated formula: C8 H14 Cl5 In N6 O3
• SMILES: [In](Cl)(Cl)(Cl)(Cl)(Cl)[OH2].[nH+]1c(cc[nH]c1=O)N.[nH+]1ccc(N)[nH]c1=O
• Title of publication: Bis(cytosinium) aquapentachloridoindate(III)
• Authors of publication: Bouacida, Sofiane; Belhouas, Ratiba; Fantazi, Boubakeur; Boudaren, Chaouki; Roisnel, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: m317 - m318
• a: 6.863 ± 0.001 Å
• b: 10.487 ± 0.002 Å
• c: 12.765 ± 0.002 Å
• α: 104.608 ± 0.001°
• β: 97.998 ± 0.001°
• γ: 98.121 ± 0.001°
• Cell volume: 865.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes