Information card for entry 4341474

Structure parameters

• Formula: C78 H144 Cu3 F6 O P7 S
• Calculated formula: C78 H144 Cu3 F6 O P7 S
• Title of publication: Assembly, Structure, and Reactivity of Cu4S and Cu3S Models for the Nitrous Oxide Reductase Active Site, CuZ*.
• Authors of publication: Johnson, Brittany J.; Lindeman, Sergey V.; Mankad, Neal P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10611 - 10619
• a: 14.792 ± 0.0003 Å
• b: 16.0721 ± 0.0004 Å
• c: 18.7434 ± 0.0004 Å
• α: 83.8839 ± 0.0017°
• β: 86.2996 ± 0.0015°
• γ: 77.4184 ± 0.0017°
• Cell volume: 4320.35 ± 0.17 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0302
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No