Information card for entry 4330945

Structure parameters

• Common name: [Mn(pimq)(CO)3(MeCN)]ClO4
• Formula: C21 H15 Cl Mn N3 O7
• Calculated formula: C21 H15 Cl Mn N3 O7
• Title of publication: Syntheses, Structures, and Properties of New Manganese Carbonyls as Photoactive CO-Releasing Molecules: Design Strategies That Lead to CO Photolability in the Visible Region
• Authors of publication: Margarita A. Gonzalez; Samantha J. Carrington; Nicole L. Fry; Jose L. Martinez; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 11930 - 11940
• a: 17.3321 ± 0.0006 Å
• b: 22.4429 ± 0.0008 Å
• c: 13.2943 ± 0.0005 Å
• α: 90°
• β: 118.27°
• γ: 90°
• Cell volume: 4554.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No