Information card for entry 7026970

Structure parameters

• Formula: C49.9 H43.33 Cl0.27 Mn N5 O2.77
• Calculated formula: C49.9 H43.3333 Cl0.266667 Mn N5 O2.76667
• Title of publication: Synthesis, characterization and molecular structures of six-coordinate manganese nitrosyl porphyrinsElectronic supplementary information (ESI) available: Molecular structure of (TTP)Mn(NO)(1-MeIm). See http://www.rsc.org/suppdata/dt/b3/b308143p/
• Authors of publication: Zahran, Zaki N.; Lee, Jonghyuk; Alguindigue, Susan S.; Khan, Masood A.; Richter-Addo, George B.
• Journal of publication: Dalton Transactions
• Year of publication: 2004
• Journal issue: 1
• Pages of publication: 44 - 50
• a: 11.317 ± 0.0006 Å
• b: 12.3768 ± 0.0007 Å
• c: 23.0336 ± 0.0012 Å
• α: 97.911 ± 0.001°
• β: 102.926 ± 0.001°
• γ: 97.058 ± 0.001°
• Cell volume: 3074.9 ± 0.3 ų
• Cell temperature: 96 ± 2 K
• Ambient diffraction temperature: 96 ± 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: 0.0685
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No