Information card for entry 1517965

Structure parameters

• Common name: Cl2P(PPh3)3
• Formula: C18 H15 Cl2 P
• Calculated formula: C18 H15 Cl2 P
• SMILES: c1(ccccc1)P(c1ccccc1)(c1ccccc1)(Cl)Cl
• Title of publication: Tandem redox mediator/Ni(ii) trihalide complex photocycle for hydrogen evolution from HCl
• Authors of publication: Hwang, Seung Jun; Powers, David C.; Maher, Andrew G.; Nocera, Daniel G.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 917
• a: 13.338 ± 0.003 Å
• b: 14.376 ± 0.003 Å
• c: 8.7454 ± 0.0017 Å
• α: 90°
• β: 102.53 ± 0.03°
• γ: 90°
• Cell volume: 1637 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.033
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No