Information card for entry 7044980

Structure parameters

• Chemical name: [(THF)4Mg(OCP)2]
• Formula: C18 H32 Mg O6 P2
• Calculated formula: C18 H32 Mg O6 P2
• Title of publication: An isolable magnesium diphosphaethynolate complex.
• Authors of publication: Gilliard, Robert J.; Heift, Dominikus; Benkő, Zoltán; Keiser, Jerod M.; Rheingold, Arnold L.; Grützmacher, Hansjörg; Protasiewicz, John D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 3
• Pages of publication: 666 - 669
• a: 7.5504 ± 0.0009 Å
• b: 14.2261 ± 0.0019 Å
• c: 11.0598 ± 0.001 Å
• α: 90°
• β: 97.837 ± 0.004°
• γ: 90°
• Cell volume: 1176.9 ± 0.2 ų
• Cell temperature: 225 K
• Ambient diffraction temperature: 225 K
• Number of distinct elements: 5
• 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: 0.0789
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No