Information card for entry 7700331

Structure parameters

• Formula: C32 H66 Cl4 Mo N O5.5 P3
• Calculated formula: C30 H61 Cl4 Mo N O5 P3
• Title of publication: Electrostatic polarization of nonpolar substrates: a study of interactions between simple cations and Mo-bound N₂.
• Authors of publication: Pap, Levente G.; Couldridge, Adam; Arulsamy, Navamoney; Hulley, Elliott
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 29
• Pages of publication: 11004 - 11017
• a: 24.6809 ± 0.0012 Å
• b: 11.9759 ± 0.0006 Å
• c: 16.5785 ± 0.0008 Å
• α: 90°
• β: 117.31 ± 0.001°
• γ: 90°
• Cell volume: 4354 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No