Information card for entry 7008130

Structure parameters

• Common name: Dicarbonylnitrosylbromopicolinate-rhenium(i)
• Chemical name: Dicarbonylnitrosylbromopicolinate-rhenium(I)
• Formula: C8 H4 Br N2 O5 Re
• Calculated formula: C8 H4 Br N2 O5 Re
• SMILES: [Re]1(Br)(C#[O])(N=O)(C#[O])[n]2c(C(=O)O1)cccc2
• 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: 8.487 ± 0.001 Å
• b: 13.2496 ± 0.0013 Å
• c: 10.3211 ± 0.0014 Å
• α: 90°
• β: 92.596 ± 0.015°
• γ: 90°
• Cell volume: 1159.4 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No