Information card for entry 4328376

Structure parameters

• Formula: C74 H16 F30 N8 O3 W2
• Calculated formula: C74 H16 F30 N8 O3 W2
• SMILES: [W]123456([W]789(O1)(O2)(O3)[n]1c2ccc1=C(c1ccc(C(=c3ccc(=C(c%10ccc2n9%10)c2c(c(c(c(c2F)F)F)F)F)n83)c2c(c(c(c(c2F)F)F)F)F)n71)c1c(c(c(c(c1F)F)F)F)F)[n]1c2ccc1=C(c1ccc(C(=c3ccc(=C(c7ccc2n67)c2c(c(c(c(c2F)F)F)F)F)n53)c2c(c(c(c(c2F)F)F)F)F)n41)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: 5d Early-Transition-Metal Corroles: a Trioxo-Bridged Binuclear Tungsten(VI) Derivative
• Authors of publication: Izana Nigel-Etinger; Israel Goldberg; Zeev Gross
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1983 - 1985
• a: 12.2271 ± 0.0007 Å
• b: 16.5676 ± 0.0012 Å
• c: 18.7326 ± 0.0018 Å
• α: 95.614 ± 0.005°
• β: 97.52 ± 0.005°
• γ: 108.921 ± 0.005°
• Cell volume: 3518.8 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No