Information card for entry 7121075

Structure parameters

• Formula: C118 H144 Mg2 N4
• Calculated formula: C118 H144 Mg2 N4
• SMILES: [Mg]12([H][Mg]3([H]1)N(C(=[N]3c1c(cccc1C(C)C)C(C)C)C(C)(C)C)c1c(cc(cc1C(c1ccccc1)c1ccccc1)C(C)C)C(c1ccccc1)c1ccccc1)[N](=C([N]2c1c(cccc1C(C)C)C(C)C)C(C)(C)C)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: 15.8039 ± 0.0004 Å
• b: 16.4093 ± 0.0004 Å
• c: 19.9724 ± 0.0005 Å
• α: 91.713 ± 0.001°
• β: 104.171 ± 0.001°
• γ: 92.271 ± 0.001°
• Cell volume: 5013.7 ± 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: 0.0965
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1295
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No