Information card for entry 7033329

Structure parameters

• Formula: C19 H15 Cl2 Mn N4 O3
• Calculated formula: C19 H15 Cl2 Mn N4 O3
• Title of publication: Exploring the effect of axial ligand substitution (X = Br, NCS, CN) on the photodecomposition and electrochemical activity of [MnX(N-C)(CO)3] complexes.
• Authors of publication: Agarwal, Jay; Stanton Iii, Charles J.; Shaw, Travis W.; Vandezande, Jonathon E.; Majetich, George F.; Bocarsly, Andrew B.; Schaefer Iii, Henry F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 5
• Pages of publication: 2122 - 2131
• a: 9.231 ± 0.0009 Å
• b: 9.9773 ± 0.0009 Å
• c: 12.0386 ± 0.0011 Å
• α: 85.5287 ± 0.0013°
• β: 74.4239 ± 0.0013°
• γ: 69.7291 ± 0.0013°
• Cell volume: 1001.75 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No