Information card for entry 7247741

Structure parameters

• Formula: C37.25 H33.73 Cl0.27 Ni O5.64 P2 S1.85
• Calculated formula: C37.25 H33.73 Cl0.27 Ni O5.64 P2 S1.85
• Title of publication: The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates
• Authors of publication: Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd.
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 48
• Pages of publication: 6822 - 6836
• a: 9.658 ± 0.00014 Å
• b: 10.04345 ± 0.00011 Å
• c: 18.763 ± 0.0003 Å
• α: 76.6204 ± 0.0011°
• β: 85.3079 ± 0.0011°
• γ: 81.3483 ± 0.001°
• Cell volume: 1748.37 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No