Information card for entry 7010648

Structure parameters

• Formula: C38 H46 B2 Hg Mo2 N2 O6
• Calculated formula: C38 H32 B2 Hg0.5 Mo2 N2 O6
• Title of publication: Heterometallic complexes and clusters with 2-boratanaphthalene ligands †
• Authors of publication: Braunstein, Pierre; Cura, Elisabeth; Herberich, Gerhard E.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 11
• Pages of publication: 1754
• a: 9.2428 ± 0.0006 Å
• b: 9.7821 ± 0.0006 Å
• c: 12.3798 ± 0.0005 Å
• α: 78.225 ± 0.005°
• β: 87.103 ± 0.005°
• γ: 67.449 ± 0.005°
• Cell volume: 1011.49 ± 0.11 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.063
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.633
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections: 11.963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No