Information card for entry 7115060

Structure parameters

• Formula: C41 H65 Cl2 Fe Mg0.5 N2 O3
• Calculated formula: C41 H65 Cl2 Fe Mg0.5 N2 O3
• Title of publication: Tuning metal coordination number by ancillary ligand steric effects: synthesis of a three-coordinate iron(ii) complex
• Authors of publication: Smith, Jeremy M.; Lachicotte, Rene J.; Holland, Patrick L.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 17
• Pages of publication: 1542
• a: 12.6469 ± 0.0008 Å
• b: 13.0103 ± 0.0008 Å
• c: 26.4143 ± 0.0017 Å
• α: 90°
• β: 102.853 ± 0.001°
• γ: 90°
• Cell volume: 4237.3 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0769
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No