Information card for entry 7039863

Structure parameters

• Formula: C12 H32 Ca Cl2 N2 O9
• Calculated formula: C12 H32 Ca Cl2 N2 O9
• Title of publication: Modulating the hydration behaviour of calcium chloride by lactam complexation.
• Authors of publication: Perrin, Andrea; Musa, Osama M.; Steed, Jonathan W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 12181 - 12187
• a: 8.8007 ± 0.0005 Å
• b: 8.9311 ± 0.0005 Å
• c: 14.75 ± 0.0008 Å
• α: 99.325 ± 0.005°
• β: 95.103 ± 0.004°
• γ: 104.163 ± 0.005°
• Cell volume: 1099.19 ± 0.11 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0434
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No