Information card for entry 4307300

Structure parameters

• Common name: compound_1
• Chemical name: calcium glycinate monohydrate
• Formula: C4 H10 Ca N2 O5
• Calculated formula: C4 H10 Ca N2 O5
• Title of publication: Coordination of Biologically Important α-Amino Acids to Calcium(II) at High pH: Insights from Crystal Structures of Calcium α-Aminocarboxylates
• Authors of publication: Stefan Fox; Insa Büsching; Walter Barklage; Henry Strasdeit
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 818 - 824
• a: 6.436 ± 0.001 Å
• b: 7.9 ± 0.001 Å
• c: 8.21 ± 0.002 Å
• α: 80.21 ± 0.02°
• β: 81.8 ± 0.03°
• γ: 73.57 ± 0.02°
• Cell volume: 392.58 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0356
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No