Information card for entry 7709178

Structure parameters

• Formula: C66 H92 Cl Ga2 N4 O P
• Calculated formula: C66 H91 Cl Ga2 N4 O P
• SMILES: [Ga]1(Cl)(P[Ga]2(Oc3c(cccc3C)C)N(C(=CC(=[N]2c2c(cccc2C(C)C)C(C)C)C)C)c2c(cccc2C(C)C)C(C)C)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Selective 1,2 addition of polar X-H bonds to the Ga-P double bond of gallaphosphene L(Cl)GaPGaL.
• Authors of publication: Sharma, Mahendra K.; Wölper, Christoph; Schulz, Stephan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 1612 - 1616
• a: 21.415 ± 0.002 Å
• b: 39.087 ± 0.004 Å
• c: 16.2869 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13633 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No