Information card for entry 4310902

Structure parameters

• Common name: [Fe(TpivPP)(NO2)(CO)]-
• Chemical name: fe2nc
• Formula: C89 H105 Cl Fe K N11 O13
• Calculated formula: C89 H105 Cl Fe K N11 O13
• Title of publication: Variable π-Bonding in Iron(II) Porphyrinates with Nitrite, CO, and tert-Butyl Isocyanide: Characterization of [Fe(TpivPP)(NO2)(CO)]-
• Authors of publication: Habib Nasri; Mary K. Ellison; Maoyu Shang; Charles E. Schulz; W. Robert Scheidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2932 - 2942
• a: 33.548 ± 0.006 Å
• b: 18.8172 ± 0.0015 Å
• c: 27.187 ± 0.002 Å
• α: 90°
• β: 95.24 ± 0.007°
• γ: 90°
• Cell volume: 17091 ± 4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1224
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No