Information card for entry 7121078

Structure parameters

• Formula: C72 H79 K N2
• Calculated formula: C72 H79 K N2
• SMILES: [K]N(/C(=N\c1c(cccc1C(C)C)C(C)C)C12CC3CC(C1)CC(C2)C3)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)C)C(c1ccccc1)c1ccccc1.Cc1ccccc1.Cc1ccccc1
• Title of publication: Kinetic stabilisation of a molecular strontium hydride complex using an extremely bulky amidinate ligand.
• Authors of publication: de Bruin-Dickason, Caspar N; Sutcliffe, Thomas; Alvarez Lamsfus, Carlos; Deacon, Glen B.; Maron, Laurent; Jones, Cameron
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 786 - 789
• a: 11.0746 ± 0.0005 Å
• b: 14.6742 ± 0.0006 Å
• c: 19.4655 ± 0.0008 Å
• α: 100.224 ± 0.002°
• β: 99.4 ± 0.002°
• γ: 108.468 ± 0.002°
• Cell volume: 2870 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0901
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No