Information card for entry 7026972

Structure parameters

• Formula: C53 H44 Cl2 Mn N7 O5
• Calculated formula: C53 H44 Cl2 Mn N7 O5
• 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: 12.1992 ± 0.0016 Å
• b: 12.7458 ± 0.0017 Å
• c: 15.151 ± 0.002 Å
• α: 90.136 ± 0.002°
• β: 90.287 ± 0.002°
• γ: 99.228 ± 0.002°
• Cell volume: 2325.3 ± 0.5 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 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: 0.1437
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No