Information card for entry 4066110

Structure parameters

• Formula: C16 H18 Hg N2
• Calculated formula: C16 H18 Hg N2
• SMILES: c12ccccc1C[NH]1CC[NH]3[Hg]21c1ccccc1C3
• 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: 21.7105 ± 0.0018 Å
• b: 7.1769 ± 0.0008 Å
• c: 8.9718 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1397.9 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No