Information card for entry 7717676

Structure parameters

• Formula: C26 H33 Cl N3 Ni2 O P S2
• Calculated formula: C26 H33 Cl N3 Ni2 O P S2
• Title of publication: A sulfur-templated Ni-Ni' coordination polymer that relies on a polarizable nickel nitrosyl hub.
• Authors of publication: Jana, Manish; Hall, Michael B.; Darensbourg, Marcetta Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 9.7816 ± 0.0004 Å
• b: 15.5698 ± 0.0006 Å
• c: 18.7752 ± 0.0007 Å
• α: 92.798 ± 0.002°
• β: 93.041 ± 0.002°
• γ: 92.763 ± 0.002°
• Cell volume: 2848.29 ± 0.19 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1501
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No