Information card for entry 7121028

Structure parameters

• Formula: C40 H48 Cl2 N2 Ni O2 P2
• Calculated formula: C40 H48 Cl2 N2 Ni O2 P2
• Title of publication: Mild electrochemical synthesis of metal phosphides with dibenzo-7-phosphanorbornadiene derivatives: mechanistic insights and application to proton reduction in water.
• Authors of publication: Shida, Naoki; Buss, Joshua A.; Agapie, Theodor
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 767 - 770
• a: 17.2751 ± 0.0011 Å
• b: 11.6325 ± 0.0007 Å
• c: 18.6817 ± 0.0012 Å
• α: 90°
• β: 90.593 ± 0.002°
• γ: 90°
• Cell volume: 3753.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No