Information card for entry 7050918

Structure parameters

• Formula: C32 H56 Cl6 Fe Ga2 P2
• Calculated formula: C32 H56 Cl6 Fe Ga2 P2
• SMILES: [Ga]12([Fe]3456789%10([p]%111[c]3([c]4([c]5([c]6%11CCC)CCC)CCC)CCC)[p]12[c]7([c]8([c]9([c]%101CCC)CCC)CCC)CCC)(Cl)Cl.[Ga](Cl)(Cl)([Cl-])Cl
• Title of publication: Cationic diphosphaferrocene gallium dichloride complexes
• Authors of publication: Xavier Sava; Mohand Melaimi; Nicolas Mézailles; Louis Ricard; François Mathey; Pascal Le Floch
• Journal of publication: New J. Chem.
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 1378 - 1383
• a: 11.558 ± 0.005 Å
• b: 14.425 ± 0.005 Å
• c: 25.091 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 4183 ± 2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No