Information card for entry 7019723

Structure parameters

• Formula: C93 H137 Ga5 I4 N6
• Calculated formula: C93 H137 Ga5 I4 N6
• SMILES: I[Ga]1([Ga]23[I][Ga]4(N(C(=CC(=[N]4c4c(cc(cc4C)C)C)C(C)(C)C)C(C)(C)C)c4c(cc(cc4C)C)C)[Ga]3([I]2)[Ga]2(I)N(C(=CC(=[N]2c2c(cc(cc2C)C)C)C(C)(C)C)C(C)(C)C)c2c(cc(cc2C)C)C)[N](=C(C=C(N1c1c(cc(cc1C)C)C)C(C)(C)C)C(C)(C)C)c1c(cc(cc1C)C)C.CCCCCC
• Title of publication: Synthesis and characterisation of anionic and neutral gallium(i) N-heterocyclic carbene analogues.
• Authors of publication: Dange, Deepak; Choong, Sam L.; Schenk, Christian; Stasch, Andreas; Jones, Cameron
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 31
• Pages of publication: 9304 - 9315
• a: 14.8206 ± 0.0004 Å
• b: 17.7618 ± 0.0005 Å
• c: 18.724 ± 0.0006 Å
• α: 84.734 ± 0.003°
• β: 89.572 ± 0.002°
• γ: 85.108 ± 0.002°
• Cell volume: 4890.2 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No