Information card for entry 4346729

Structure parameters

• Formula: C36 H84 Cl3 In2 N3 P6 S2
• Calculated formula: C36 H84 Cl3 In2 N3 P6 S2
• SMILES: [In]12(Cl)([Cl][In]3(Cl)(SP(=N[P]3(C(C)C)C(C)C)(C(C)C)C(C)C)P(=N[P]2(C(C)C)C(C)C)(C(C)C)C(C)C)SP(=N[P]1(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Rapid, Reversible, Solid-Gas and Solution-Phase Insertion of CO2 into In-P Bonds.
• Authors of publication: Dickie, Diane A.; Barker, Madeline T.; Land, Michael A.; Hughes, Kira E.; Clyburne, Jason A. C.; Kemp, Richard A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11121 - 11126
• a: 15.137 ± 0.0006 Å
• b: 20.4781 ± 0.0009 Å
• c: 18.4774 ± 0.0009 Å
• α: 90°
• β: 111.822 ± 0.003°
• γ: 90°
• Cell volume: 5317.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No