Information card for entry 7026520

Structure parameters

• Formula: C32 H68 Cl12 Ga6 N6 O12
• Calculated formula: C32 H68 Cl12 Ga6 N6 O12
• SMILES: C1C[N]2(C)CC[O]3[Ga]452([O]1[Ga]126([N](CC[O]6[Ga]678([N](CC[O]7[Ga]79%10([N](CC[O]7[Ga]7%11%12([N](CC[O]%11[Ga]%11%133([N](CC[O]5%11)(C)CC[O]7%13)Cl)(C)CC[O]%10%12)Cl)(C)CC[O]69)Cl)(C)CC[O]28)Cl)(C)CC[O]41)Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Aminoalkoxo-supported heteroleptic hexanuclear gallium(III) wheel as a synthon for group 13 heterometallics: a rare sol-gel precursor for mixed Al-Ga oxide as support for gold catalysts.
• Authors of publication: Mishra, Shashank; Jeanneau, Erwann; Daniele, Stéphane; Mendez, Violaine
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 32
• Pages of publication: 7440 - 7443
• a: 13.787 ± 0.0002 Å
• b: 18.689 ± 0.002 Å
• c: 11.187 ± 0.002 Å
• α: 90°
• β: 105.58 ± 0.02°
• γ: 90°
• Cell volume: 2776.6 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.1145
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections: 0.1609
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8052
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No