Information card for entry 4317225

Structure parameters

• Formula: C33 H32 F12 Mn N10 P2
• Calculated formula: C33 H32 F12 Mn N10 P2
• SMILES: [Mn]12([n]3c(C(N4C=2N(C(c2ncccc2)c2ccccn2)C=C4)c2[n]1cccc2)cccc3)([N]#CC)([N]#CC)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C
• Title of publication: First-Row Transition Metal Complexes of the Strongly Donating Pentadentate Ligand PY4Im
• Authors of publication: Jeremy M. Smith; Jeffrey R. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11223 - 11230
• a: 11.5016 ± 0.0012 Å
• b: 12.059 ± 0.0012 Å
• c: 15.1054 ± 0.0016 Å
• α: 76.629 ± 0.001°
• β: 81.852 ± 0.002°
• γ: 74.866 ± 0.001°
• Cell volume: 1960.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No