Information card for entry 7026971

Structure parameters

• Formula: C52.28 H42.56 Cl0.56 Mn N7 O
• Calculated formula: C52.28 H42.56 Cl0.56 Mn N7 O
• 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: 14.9067 ± 0.0008 Å
• b: 15.0365 ± 0.0008 Å
• c: 15.8656 ± 0.0009 Å
• α: 104.709 ± 0.001°
• β: 90.832 ± 0.001°
• γ: 97.34 ± 0.001°
• Cell volume: 3407.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0811
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2205
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No