Information card for entry 4314302

Structure parameters

• Formula: C11 H28 Mn2 N4 O17 P
• Calculated formula: C11 H22 Mn2 N4 O17 P
• Title of publication: Novel Transition Metal Oxalatophosphates with a Two-Dimensional Honeycomb Structure: (H3TREN)[M2(HPO4)(C2O4)2.5].3H2O (M = MnII and FeII, TREN = Tris(2-aminoethyl)amine)
• Authors of publication: Yau-Chen Jiang; Sue-Lein Wang; Shang-Fan Lee; Kwang-Hwa Lii
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6154 - 6156
• a: 8.8385 ± 0.0006 Å
• b: 9.0586 ± 0.0006 Å
• c: 16.02 ± 0.001 Å
• α: 77.616 ± 0.001°
• β: 83.359 ± 0.001°
• γ: 68.251 ± 0.001°
• Cell volume: 1162.68 ± 0.13 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0573
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No