Information card for entry 4066109

Structure parameters

• Formula: C40 H28 Hg2 N4
• Calculated formula: C40 H28 Hg2 N4
• SMILES: [Hg]1c2ccccc2C=Nc2ccccc2N=Cc2ccccc2[Hg]c2ccccc2C=Nc2ccccc2N=Cc2ccccc12
• Title of publication: Intermetallic Bonds in Metallophilic Mercuraazametallamacrocycles of Synthetic Design
• Authors of publication: Patel, Upali; Sharma, Sagar; Singh, Harkesh B.; Dey, Sandip; Jain, Vimal K.; Wolmershäuser, Gotthelf; Butcher, Ray J.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 19
• Pages of publication: 4265
• a: 18.3577 ± 0.0016 Å
• b: 8.6721 ± 0.0008 Å
• c: 41.832 ± 0.004 Å
• α: 90°
• β: 100.745 ± 0.001°
• γ: 90°
• Cell volume: 6542.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No