Information card for entry 4510359

Structure parameters

• Formula: C32 H28 F12 Fe2 N4 O4 S4
• Calculated formula: C32 H28 F12 Fe2 N4 O4 S4
• Title of publication: Monomeric Iron Heteroarylalkenolates: Structural Design Concepts and Investigations on Their Application in Chemical Vapor Deposition
• Authors of publication: Fornalczyk, Gregor; Valldor, Martin; Mathur, Sanjay
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1811
• a: 12.323 ± 0.005 Å
• b: 18.408 ± 0.005 Å
• c: 18.015 ± 0.005 Å
• α: 90 ± 0.005°
• β: 104.012 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3965 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No