Information card for entry 7709181

Structure parameters

• Formula: C68 H99 Cl Ga2 N5 P
• Calculated formula: C68 H99 Cl Ga2 N5 P
• SMILES: [Ga]1(Cl)(P[Ga]2(N(C(=CC(=[N]2c2c(cccc2C(C)C)C(C)C)C)C)c2c(cccc2C(C)C)C(C)C)NC(C)C)[N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.c1(ccccc1)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: 18.4348 ± 0.0008 Å
• b: 16.878 ± 0.0008 Å
• c: 41.2991 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12849.9 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No