Information card for entry 7105588

Structure parameters

• Formula: C16 H10 Hg N4 O2
• Calculated formula: C16 H10 Hg N4 O2
• SMILES: c12ccccc1n([Hg]n1c(=O)cnc3ccccc13)c(=O)cn2
• Title of publication: Streamlined approach to a new gelator: inspiration from solid-state interactions for a mercury-induced gelation
• Authors of publication: King, Kelsey N.; McNeil, Anne J.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 20
• Pages of publication: 3511
• a: 4.5549 ± 0.0006 Å
• b: 7.5368 ± 0.001 Å
• c: 10.6347 ± 0.0014 Å
• α: 106.904 ± 0.002°
• β: 96.962 ± 0.002°
• γ: 94.24 ± 0.002°
• Cell volume: 344.43 ± 0.08 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No