Information card for entry 4338625

Structure parameters

• Formula: C36 H40 B4 Ba2 N24
• Calculated formula: C36 H40 B4 Ba2 N24
• Title of publication: Volatility, High Thermal Stability, and Low Melting Points in Heavier Alkaline Earth Metal Complexes Containing Tris(pyrazolyl)borate Ligands
• Authors of publication: Saly, Mark J.; Heeg, Mary Jane; Winter, Charles H.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5303 - 5312
• a: 19.885 ± 0.0011 Å
• b: 15.9199 ± 0.0011 Å
• c: 16.6548 ± 0.0013 Å
• α: 90°
• β: 119.481 ± 0.004°
• γ: 90°
• Cell volume: 4589.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No