Information card for entry 4066108

Structure parameters

• Formula: C40 H40 Hg2 N4
• Calculated formula: C40 H40 Hg2 N4
• SMILES: [Hg]123[N](=Cc4ccccc14)[C@@H]1CCCC[C@H]1[N]1=Cc4ccccc4[Hg]41[N](=Cc1ccccc41)[C@@H]1CCCC[C@H]1[N]2=Cc1ccccc31.[Hg]123[N](=Cc4ccccc14)[C@H]1CCCC[C@@H]1[N]1=Cc4ccccc4[Hg]41[N](=Cc1ccccc41)[C@H]1CCCC[C@@H]1[N]2=Cc1ccccc31
• 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: 12.8247 ± 0.0008 Å
• b: 15.5549 ± 0.0009 Å
• c: 17.1838 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3427.9 ± 0.4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P c a n
• Hall space group symbol: -P 2n 2c
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No