Information card for entry 7101752

Structure parameters

• Formula: C30 H45 Ca Ga
• Calculated formula: C30 H45 Ca Ga
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ca]16782345([c]2([c]8([c]7([c]6([c]12C)C)C)C)C)[Ga]1234[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)C)C)C)C
• Title of publication: Gallium(I)-alkaline earth metal donor-acceptor bonds.
• Authors of publication: Wiecko, Michal; Roesky, Peter W; Nava, Paola; Ahlrichs, Reinhart; Konchenko, Sergey N
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 9
• Pages of publication: 927 - 929
• a: 9.8754 ± 0.0018 Å
• b: 10.6943 ± 0.0016 Å
• c: 15.134 ± 0.003 Å
• α: 76.1 ± 0.012°
• β: 74.713 ± 0.013°
• γ: 70.802 ± 0.012°
• Cell volume: 1435.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2873
• Weighted residual factors for all reflections included in the refinement: 0.2924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No