Information card for entry 7049341

Structure parameters

• Formula: C67 H73 Cl Fe N4 P4
• Calculated formula: C67 H73 Cl Fe N4 P4
• Title of publication: Evaluation of attractive interactions in the second coordination sphere of iron complexes containing pendant amines.
• Authors of publication: Liao, Qian; Liu, Tianbiao; Johnson, Samantha I.; Klug, Christina M.; Wiedner, Eric S.; Morris Bullock, R.; DuBois, Daniel L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 4867 - 4878
• a: 21.108 ± 0.001 Å
• b: 12.9961 ± 0.0006 Å
• c: 21.7498 ± 0.001 Å
• α: 90°
• β: 100.643 ± 0.002°
• γ: 90°
• Cell volume: 5863.8 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No