Information card for entry 4331795

Structure parameters

• Formula: C56 H52 In2 N6 O4 P4
• Calculated formula: C56 H52 In2 N6 O4 P4
• Title of publication: Unusual In2N4Cores in Complexes Containing Triazole-Based Chalcogen−Phosphoranyl Ligands
• Authors of publication: Moya-Cabrera, Mónica; Jancik, Vojtech; Castro, Rafael A.; Herbst-Irmer, Regine; Roesky, Herbert W.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5167 - 5171
• a: 12.845 ± 0.002 Å
• b: 15.074 ± 0.003 Å
• c: 16.198 ± 0.003 Å
• α: 67.03 ± 0.03°
• β: 70.3 ± 0.03°
• γ: 73.19 ± 0.03°
• Cell volume: 2673.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0826
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No