Information card for entry 2010997

Structure parameters

• Chemical name: bis(nitrato)(1,4,7-trioxa-10-azacyclododecane)mercury(II)
• Formula: C8 H17 Hg N3 O9
• Calculated formula: C8 H17 Hg N3 O9
• SMILES: [Hg]12345([NH]6CC[O]1CC[O]2CC[O]3CC6)(ON(=O)=[O]4)ON(=O)=[O]5
• Title of publication: The Ni^II^, Hg^II^ and Cu^II^ complexes of 12-membered-ring mixed-donor macrocycles
• Authors of publication: Marcus, Sebastian T.; Gahan, Lawrence R.; Bernhardt, Paul V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 655 - 658
• a: 8.245 ± 0.003 Å
• b: 11.927 ± 0.002 Å
• c: 14.272 ± 0.005 Å
• α: 90°
• β: 96.6 ± 0.02°
• γ: 90°
• Cell volume: 1394.2 ± 0.7 ų
• Cell temperature: 275 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes