Information card for entry 4343012

Structure parameters

• Formula: C76 H70 B2 Cl4 F8 Fe2 Mo2 O4 P4
• Calculated formula: C76 H70 B2 Cl4 F8 Fe2 Mo2 O4 P4
• Title of publication: Rational Synthesis and Characterization of Dimolybdenum(II) Compounds Bearing Ferrocenyl-Containing Ligands toward Modulation of Electronic Coupling.
• Authors of publication: Cai, Xu-Min; Riener, Korbinian; Herdtweck, Eberhardt; Pöthig, Alexander; Kühn, Fritz E
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Pages of publication: 150317135657008
• a: 15.8736 ± 0.0005 Å
• b: 16.1118 ± 0.0005 Å
• c: 16.6044 ± 0.0005 Å
• α: 72.3049 ± 0.0015°
• β: 74.3632 ± 0.0016°
• γ: 70.2607 ± 0.0015°
• Cell volume: 3741.4 ± 0.2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.0622
• 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