Information card for entry 7125143

Structure parameters

• Common name: MnBrCO3dppz
• Chemical name: MnBrCO3dppz
• Formula: C10.5 H6 Br0.5 Mn0.5 N2 O2
• Calculated formula: C10.5 H5 Br0.5 Mn0.5 N2 O1.5
• Title of publication: Blue rhenium tricarbonyl DPPZ complexes - low energy charge-transfer absorption at tissue-penetrating wavelengths.
• Authors of publication: Coogan, M. P.; Platts, J. A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 84
• Pages of publication: 12498 - 12501
• a: 23.4756 ± 0.0005 Å
• b: 12.4761 ± 0.0003 Å
• c: 7.29758 ± 0.00016 Å
• α: 90°
• β: 97.067 ± 0.002°
• γ: 90°
• Cell volume: 2121.11 ± 0.08 ų
• Cell temperature: 292.78 ± 0.1 K
• Ambient diffraction temperature: 292.78 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No