Information card for entry 7249803

Structure parameters

• Formula: C16 H28 In4 N6 O30 P6
• Calculated formula: C16 H28 In4 N6 O30 P6
• Title of publication: Histidine-directed synthesis and optical properties of two indium phosphite–oxalates with three-dimensional structures
• Authors of publication: Wen, Xuemei; Li, Ying; Zhao, Yan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 903 - 907
• a: 8.397 ± 0.0002 Å
• b: 23.4886 ± 0.0008 Å
• c: 9.9675 ± 0.0003 Å
• α: 90°
• β: 108.292 ± 0.001°
• γ: 90°
• Cell volume: 1866.59 ± 0.1 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No