Information card for entry 4315374

Structure parameters

• Formula: C45 H77 B N2 O Sr
• Calculated formula: C45 H77 B N2 O Sr
• SMILES: [Sr]1([O]2CCCC2)(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[H][B]([C@H](CC)C)([C@@H](CC)C)[C@@H](CC)C.[Sr]1([O]2CCCC2)(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)[H][B]([C@@H](CC)C)([C@H](CC)C)[C@H](CC)C
• Title of publication: Heavier Alkaline Earth Metal Borohydride Complexes Stabilized by β-Diketiminate Ligand
• Authors of publication: Sankaranarayana Pillai Sarish; Anukul Jana; Herbert W. Roesky; Thomas Schulz; Michael John; Dietmar Stalke
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3816 - 3820
• a: 20.721 ± 0.004 Å
• b: 13.395 ± 0.002 Å
• c: 16.093 ± 0.003 Å
• α: 90°
• β: 100.014 ± 0.003°
• γ: 90°
• Cell volume: 4398.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0624
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No