Information card for entry 7039964

Structure parameters

• Formula: C34.5 H32 Br2 Cl3 N3 O2 P2 W
• Calculated formula: C34.5 H32 Br2 Cl3 N3 O2 P2 W
• Title of publication: Structural diversity of halocarbonyl molybdenum and tungsten PNP pincer complexes through ligand modifications.
• Authors of publication: Aguiar, Sara R M M de; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13834 - 13845
• a: 11.07 ± 0.001 Å
• b: 12.0262 ± 0.0011 Å
• c: 15.6541 ± 0.0014 Å
• α: 112.131 ± 0.003°
• β: 95.118 ± 0.003°
• γ: 106.361 ± 0.003°
• Cell volume: 1807 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0286
• Weighted residual factors for all reflections included in the refinement: 0.03
• Goodness-of-fit parameter for significantly intense reflections: 1.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No