Information card for entry 7008197

Structure parameters

• Formula: C32 H33 Fe O P
• Calculated formula: C32 H33 Fe O P
• SMILES: [Fe]12345678([p]9[c]4([c]3([c]2([c]19c1ccccc1)C)C)c1c(O)ccc2ccccc12)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Synthesis, structure and dynamics of methoxynaphthalene-substituted phospha-ruthenocenes and -ferrocenes.
• Authors of publication: Carmichael, Duncan; Ricard, Louis; Seeboth, Nicolas; Brown, John M.; Claridge, Timothy D. W.; Odell, Barbara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 12
• Pages of publication: 2173 - 2181
• a: 10.492 ± 0.001 Å
• b: 8.013 ± 0.001 Å
• c: 31.164 ± 0.001 Å
• α: 90°
• β: 93.32 ± 0.001°
• γ: 90°
• Cell volume: 2615.6 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0579
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No