Information card for entry 4321259

Structure parameters

• Formula: C96 H102 Cl6 D2 P4
• Calculated formula: C96 H104 Cl6 P4
• SMILES: c1(c(c(c2ccc(cc2)C(C)(C)C)c(c(c1c1ccc(cc1)C(C)(C)C)/P=P/c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccc(cc1)C(C)(C)C)/P=P/c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1ccc(cc1)C(C)(C)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Sterically Encumbered Systems for Two Low-Coordinate Phosphorus Centers
• Authors of publication: Shashin Shah; Tom E. Concolino; Arnold L. Rheingold; John D. Protasiewicz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3860 - 3867
• a: 11.8495 ± 0.0002 Å
• b: 13.0427 ± 0.0002 Å
• c: 16.1474 ± 0.0002 Å
• α: 89.3505 ± 0.0007°
• β: 75.985 ± 0.001°
• γ: 74.4804 ± 0.0011°
• Cell volume: 2329.18 ± 0.06 ų
• Cell temperature: 233 ± 2 K
• Ambient diffraction temperature: 233 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0932
• Weighted residual factors for significantly intense reflections: 0.2348
• Weighted residual factors for all reflections included in the refinement: 0.2691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No