Information card for entry 7238814

Structure parameters

• Formula: C69 H63 Fe3 N3 O3
• Calculated formula: C69 H63 Fe3 N3 O3
• Title of publication: C3 symmetric ferrocenyl triazines: synthesis, structure, and properties
• Authors of publication: Maragani, Ramesh; Jadhav, Thaksen; Mobin, Shaikh M.; Misra, Rajneesh
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 2889
• a: 11.75 ± 0.005 Å
• b: 15.514 ± 0.005 Å
• c: 16.213 ± 0.005 Å
• α: 72.754 ± 0.005°
• β: 85.225 ± 0.005°
• γ: 73.299 ± 0.005°
• Cell volume: 2703.5 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.2014
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No