Information card for entry 7049821

Structure parameters

• Formula: C54 H44 Cl4 Mo2 N6 O5 P4 S4
• Calculated formula: C54 H44 Cl4 Mo2 N6 O5 P4 S4
• Title of publication: Metal-directed self-assembly of transition metal heterometallascorpionates.
• Authors of publication: Pastor-Medrano, Jesús; Rodríguez-Raya, Francisco R; Bernabé-Pablo, Erandi; Mireles-Chávez, Daniel A; Jancik, Vojtech; Martínez-Otero, Diego; Moya-Cabrera, Mónica
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 19
• Pages of publication: 6571 - 6580
• a: 27.9452 ± 0.0006 Å
• b: 10.2398 ± 0.0002 Å
• c: 24.6315 ± 0.0009 Å
• α: 90°
• β: 122.671 ± 0.0007°
• γ: 90°
• Cell volume: 5933.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0234
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No