Information card for entry 4311346

Structure parameters

• Formula: C70 H51 Mo N5 P2 S6
• Calculated formula: C69.5 H50 Mo N5 P2 S6
• Title of publication: Structural and Functional Analogue of the Active Site of Polysulfide Reductase from Wolinella Succinogenes
• Authors of publication: Kowliki Nagarajan; Hemant K. Joshi; Pradeep K. Chaudhury; Kuntal Pal; J. Jon A. Cooney; John H. Enemark; Sabyasachi Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4532 - 4533
• a: 13.3808 ± 0.0011 Å
• b: 32.182 ± 0.003 Å
• c: 15.9971 ± 0.0013 Å
• α: 90°
• β: 111.072 ± 0.002°
• γ: 90°
• Cell volume: 6428 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• 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: 0.1388
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 0.685
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No