Information card for entry 7026956

Structure parameters

• Formula: C42 H84 Cl Ga2 Ir P2
• Calculated formula: C42 H84 Cl Ga2 Ir P2
• SMILES: [Ga]([Ir]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([Cl][Ga](C)(C)C)C)(C)C
• Title of publication: On the nature of the transition metal-main group metal bond: synthesis and theoretical calculations on iridium gallyl complexes.
• Authors of publication: Durango-García, Clara J; Jiménez-Halla, J Oscar C; López-Cardoso, Marcela; Montiel-Palma, Virginia; Muñoz-Hernández, Miguel A; Merino, Gabriel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 44
• Pages of publication: 10588 - 10589
• a: 11.5241 ± 0.0017 Å
• b: 20.301 ± 0.003 Å
• c: 21.521 ± 0.003 Å
• α: 66.202 ± 0.002°
• β: 81.499 ± 0.002°
• γ: 84.121 ± 0.002°
• Cell volume: 4551.1 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No