Information card for entry 7113371

Structure parameters

• Common name: sa0401
• Formula: C24 H30 Cl Fe2 Ga O4
• Calculated formula: C24 H30 Cl Fe2 Ga O4
• SMILES: C([Fe]1234(C#[O])([c]5([c]4(C)[c]3([c]2([c]15C)C)C)C)[Ga](Cl)[Fe]1234(C#[O])(C#[O])[c]5([c]4(C)[c]3([c]2(C)[c]15C)C)C)#[O]
• Title of publication: Fe-Ga multiple bonding? Synthesis, spectroscopic and structural characterization of a transition metal complex containing a cationic two-coordinate gallium centre.
• Authors of publication: Bunn, Natalie R.; Aldridge, Simon; Coombs, Deborah L.; Rossin, Andrea; Willock, David J.; Jones, Cameron; Ooi, Li-ling
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 15
• Pages of publication: 1732 - 1733
• a: 11.1946 ± 0.0002 Å
• b: 12.9307 ± 0.0003 Å
• c: 16.9269 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2450.24 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P c n b
• Hall space group symbol: -P 2b 2ac
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No