Information card for entry 7239447

Structure parameters

• Formula: C33 H19 Ag3 F18 Fe N6 O
• Calculated formula: C33 H19 Ag3 F18 Fe N6 O
• Title of publication: Role of basic sites of substituted ferrocenes in interaction with the trinuclear 3,5-bis(trifluoromethyl)pyrazolates: thermodynamics and structure of complexes
• Authors of publication: Titov, Alexey A.; Filippov, Oleg A.; Guseva, Ekaterina A.; Smol'yakov, Alexander F.; Dolgushin, Fedor M.; Epstein, Lina M.; Belsky, Vitaly K.; Shubina, Elena S.
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 16
• Pages of publication: 8350
• a: 14.939 ± 0.0005 Å
• b: 24.6385 ± 0.0008 Å
• c: 10.4127 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3832.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No