Information card for entry 7231006

Structure parameters

• Formula: C12 H32 Ca I2 N4 O10
• Calculated formula: C12 H32 Ca I2 N4 O10
• Title of publication: New sarcosine‒metal halide complexes related to ferroelectric TSCC
• Authors of publication: Clulow, Rebecca; Lightfoot, Philip
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 28
• Pages of publication: 4012
• a: 11.288 ± 0.0008 Å
• b: 10.062 ± 0.0007 Å
• c: 23.0573 ± 0.0016 Å
• α: 90°
• β: 103.722 ± 0.004°
• γ: 90°
• Cell volume: 2544.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No