Information card for entry 7713204

Structure parameters

• Formula: C20.5 H17.5 Ni0.33 P Si0.33
• Calculated formula: C20.5 H17.5 Ni0.333333 P Si0.333333
• Title of publication: Homogeneous versus MOF-supported catalysis: A direct comparison of catalytic hydroboration at Ni tripodal P3E (E = Si, Ge) complexes
• Authors of publication: Barrios-Vargas, Luz Jimena; Abeynayake, Niroshani Samitri; Secrist, Carlee; Le, Nghia; Webster, Charles Edwin; Donnadieu, Bruno; Kaphan, David M.; Roy, Amitava; Ibarra, Ilich A.; Montiel-Palma, Virginia
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 21.7616 ± 0.0002 Å
• b: 21.7616 ± 0.0002 Å
• c: 21.7616 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10305.6 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 218
• Hermann-Mauguin space group symbol: P -4 3 n
• Hall space group symbol: P -4n 2 3
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No