Information card for entry 4066111

Structure parameters

• Formula: C32 H28 Ag Cl Hg2 N4 O4
• Calculated formula: C32 H28 Ag Cl Hg2 N4 O4
• SMILES: [Hg](c1c(C=[N]([Ag]234)CC[N]2=Cc2c([Hg]5)cccc2)cccc1)c1c(C=[N]3CC[N]4=Cc3c5cccc3)cccc1.Cl(=O)(=O)(=O)[O-]
• 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: 14.9546 ± 0.0016 Å
• b: 10.5319 ± 0.0011 Å
• c: 19.534 ± 0.002 Å
• α: 90°
• β: 90.001 ± 0.002°
• γ: 90°
• Cell volume: 3076.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0563
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No