Information card for entry 7008131

Structure parameters

• Formula: C11 H14 Cl2 F6 N O9 Re S5
• Calculated formula: C11.01 H12 Cl2 F6 N0.99 O9 Re S5
• Title of publication: The chemistry of the fac-[Re(CO)2(NO)]2+ fragment in aqueous solution.
• Authors of publication: Kurz, Philipp; Rattat, Dirk; Angst, Daniela; Schmalle, Helmut; Spingler, Bernhard; Alberto, Roger; Berke, Heinz; Beck, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 4
• Pages of publication: 804 - 810
• a: 8.9563 ± 0.0006 Å
• b: 9.5622 ± 0.0006 Å
• c: 14.9054 ± 0.001 Å
• α: 96.921 ± 0.008°
• β: 98.735 ± 0.008°
• γ: 91.503 ± 0.008°
• Cell volume: 1251.24 ± 0.15 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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: 0.0368
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No