Information card for entry 2017067

Structure parameters

• Chemical name: Tetraaquabis(<i>D</i>-camphor-10-sulfonato)calcium(II)
• Formula: C20 H38 Ca O12 S2
• Calculated formula: C20 H38 Ca O12 S2
• SMILES: [Ca](OS(=O)(=O)C[C@@]12C([C@@H](CC1=O)CC2)(C)C)(OS(=O)(=O)C[C@@]12C([C@@H](CC1=O)CC2)(C)C)([OH2])([OH2])([OH2])[OH2]
• Title of publication: Tetraaquabis(<small>D</small>-camphor-10-sulfonato)calcium(II)
• Authors of publication: Jeremić, Dejan; Kaluderović, Goran N.; Gómez-Ruiz, Santiago; Brčeski, Ilija; Andelković, Katarina K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m143 - m145
• a: 7.502 ± 0.0002 Å
• b: 10.8274 ± 0.0003 Å
• c: 32.3927 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2631.17 ± 0.12 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes