Information card for entry 4343994

Structure parameters

• Formula: C79 H76 Cl10 Fe3 N12 O2
• Calculated formula: C79 H76 Cl10 Fe3 N12 O2
• Title of publication: Versatile Coordination Mode of a New Pyridine-Based Ditopic Ligand with Transition Metals: From Regular Pyridine to Alkyne and Alkenyl Bindings and Indolizinium Formation.
• Authors of publication: Kumar, Sushil; Mandon, Dominique
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7481 - 7491
• a: 9.4072 ± 0.0007 Å
• b: 11.0781 ± 0.0007 Å
• c: 19.9755 ± 0.0014 Å
• α: 94.384 ± 0.005°
• β: 101.866 ± 0.006°
• γ: 103.475 ± 0.006°
• Cell volume: 1964.2 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No