Information card for entry 7029702

Structure parameters

• Common name: (PYR)-Mg2(DIPPNHBH3)2.(C6H6)3.5
• Formula: C84 H114 B2 Mg2 N7
• Calculated formula: C84 H114 B2 Mg2 N7
• Title of publication: Synthesis and thermal decomposition of a pyridylene-bridged bis-β-diketiminate magnesium hydride cluster.
• Authors of publication: Harder, Sjoerd; Spielmann, Jan; Intemann, Julia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14284 - 14290
• a: 14.5633 ± 0.001 Å
• b: 15.0972 ± 0.001 Å
• c: 20.1383 ± 0.0012 Å
• α: 88.321 ± 0.002°
• β: 71.161 ± 0.002°
• γ: 68.872 ± 0.002°
• Cell volume: 3889.7 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No