Information card for entry 7714958

Structure parameters

• Formula: C12 H36 B18 Fe O4
• Calculated formula: C12 H36 B18 Fe O4
• Title of publication: Charge-compensated <i>nido</i>-carborane derivatives in the synthesis of iron(II) bis(dicarbollide) complexes.
• Authors of publication: Stogniy, Marina Yu; Anufriev, Sergey A.; Bogdanova, Ekaterina V.; Gorodetskaya, Nadezhda A.; Anisimov, Alexei A.; Suponitsky, Kyrill Yu; Grishin, Ivan D.; Sivaev, Igor B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3363 - 3376
• a: 10.3079 ± 0.0006 Å
• b: 7.8554 ± 0.0005 Å
• c: 14.939 ± 0.0009 Å
• α: 90°
• β: 98.053 ± 0.002°
• γ: 90°
• Cell volume: 1197.72 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No