Information card for entry 7249802

Structure parameters

• Formula: C9 H13 In2 N3 O14.5 P2
• Calculated formula: C9 H13 In2 N3 O14.5 P2
• 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: 8.705 ± 0.0002 Å
• b: 10.4508 ± 0.0003 Å
• c: 12.106 ± 0.0003 Å
• α: 107.888 ± 0.001°
• β: 103.691 ± 0.001°
• γ: 104.046 ± 0.001°
• Cell volume: 957.24 ± 0.04 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 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: 0.0316
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No