Information card for entry 7008223

Structure parameters

• Formula: C42 H42 Hg N2 O6 P2
• Calculated formula: C42 H42 Hg N2 O6 P2
• SMILES: [Hg]12([P](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)([P](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)(ON(=[O]1)=O)ON(=O)=[O]2
• Title of publication: Structural and spectroscopic studies on mercury(II) tribenzylphosphine complexes.
• Authors of publication: Bowmaker, Graham A.; Assadollahzadeh, Behnam; Brodie, Andrew M.; Ainscough, Eric W.; Freeman, Graham H.; Jameson, Geoffrey B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1602 - 1612
• a: 27.5279 ± 0.0001 Å
• b: 14.5154 ± 0.0002 Å
• c: 19.534 ± 0.0003 Å
• α: 90°
• β: 97.225 ± 0.001°
• γ: 90°
• Cell volume: 7743.39 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No