Information card for entry 7010659

Structure parameters

• Formula: C28 H30 Al2 Fe N2 O2
• Calculated formula: C28 H30 Al2 Fe N2 O2
• SMILES: [Al]1([N]([c]23[Fe]456789%10([cH]([cH]6[cH]35)[cH]24)[cH]2[cH]7[cH]8[cH]9[c]%102[N]2[Al](Oc3ccccc3C=2)(C)C)=Cc2c(cccc2)O1)(C)C
• Title of publication: The synthesis and metal coordination chemistry of new 1,1'-N-substituted ferrocenediyl ligands derived from 1,1'-diaminoferrocene
• Authors of publication: Vernon C. Gibson; Nicholas J. Long; Edward L. Marshall; Philip J. Oxford; Andrew J. P. White; David J. Williams
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2001
• Journal issue: 8
• Pages of publication: 1162 - 1164
• a: 11.274 ± 0.002 Å
• b: 16.244 ± 0.003 Å
• c: 14.3527 ± 0.0015 Å
• α: 90°
• β: 96.465 ± 0.009°
• γ: 90°
• Cell volume: 2611.8 ± 0.7 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections: 0.1095
• Weighted residual factors for significantly intense reflections: 0.0965
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for significantly intense reflections: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No