Information card for entry 4516415

Structure parameters

• Formula: C46 H78 Hg2 I4 N6 O4
• Calculated formula: C46 H78 Hg2 I4 N6 O4
• SMILES: c1c(c(cc[n]1[Hg]1([I][Hg]([I]1)(I)[n]1cc(c(cc1)C(=O)N(CC(C)C)CC(C)C)C(=O)N(CC(C)C)CC(C)C)I)C(=O)N(CC(C)C)CC(C)C)C(=O)N(CC(C)C)CC(C)C
• Title of publication: First Report on Crystal Engineering of Hg(II) Halides with Fully Substituted 3,4-Pyridinedicarboxamides: Generation of Two-Dimensional Coordination Polymers and Linear Zig-Zag Chains of Mercury Metal Ions
• Authors of publication: Rana, Love Karan; Sharma, Sanyog; Hundal, Geeta
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 92
• a: 33.187 ± 0.008 Å
• b: 8.2084 ± 0.0018 Å
• c: 23.606 ± 0.006 Å
• α: 90°
• β: 113.992 ± 0.012°
• γ: 90°
• Cell volume: 5875 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No