Information card for entry 4339297

Structure parameters

• Formula: C111 H93 Cl15 Mo3 O6 P7 S4
• Calculated formula: C111 H72 Cl15 Mo3 O6 P7 S4
• Title of publication: C3-symmetric trinuclear molybdenum cluster sulfides: configurational stability, supramolecular stereocontrol, and absolute configuration assignment.
• Authors of publication: Frantz, Richard; Guillamón, Eva; Lacour, Jérôme; Llusar, Rosa; Polo, Victor; Vicent, Cristian
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 25
• Pages of publication: 10717 - 10723
• a: 17.1206 ± 0.0014 Å
• b: 19.6851 ± 0.0015 Å
• c: 20.716 ± 0.0016 Å
• α: 97.01 ± 0.002°
• β: 92.467 ± 0.002°
• γ: 108.341 ± 0.002°
• Cell volume: 6552.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1732
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2067
• Weighted residual factors for all reflections included in the refinement: 0.2615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No