Information card for entry 7006501

Structure parameters

• Formula: C53 H82 Ga N4 P
• Calculated formula: C53 H82 Ga N4 P
• SMILES: [Ga]1(Pc2c(cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N]1=C2N(CCCCC2)CCC1
• Title of publication: The reactivity of gallium-(I), -(II) and -(III) heterocycles towards Group 15 substrates: attempts to prepare gallium-terminal pnictinidene complexes.
• Authors of publication: Baker, Robert J.; Jones, Cameron; Mills, David P.; Murphy, Damien M.; Hey-Hawkins, Evamarie; Wolf, Robert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 1
• Pages of publication: 64 - 72
• a: 11.127 ± 0.002 Å
• b: 18.27 ± 0.004 Å
• c: 24.459 ± 0.005 Å
• α: 90°
• β: 94.49 ± 0.03°
• γ: 90°
• Cell volume: 4957 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No