Information card for entry 4068300

Structure parameters

• Formula: C18 H38 Ca N8
• Calculated formula: C18 H38 Ca N8
• SMILES: [Ca]12([N](N(C)C)=C(C=C(N1N(C)C)C)C)[N](N(C)C)=C(C=C(N2N(C)C)C)C
• Title of publication: Volatility Enhancement in Calcium, Strontium, and Barium Complexes Containing β-Diketiminate Ligands with Dimethylamino Groups on the Ligand Core Nitrogen Atoms
• Authors of publication: Sedai, Baburam; Heeg, Mary Jane; Winter, Charles H.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1032
• a: 17.6343 ± 0.0005 Å
• b: 8.5167 ± 0.0002 Å
• c: 15.6458 ± 0.0004 Å
• α: 90°
• β: 97.74 ± 0.001°
• γ: 90°
• Cell volume: 2328.37 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No