Information card for entry 7005118

Structure parameters

• Formula: C34 H38 Hg N5 Na O1.2 S5
• Calculated formula: C34 H35 Hg N5 Na O1.2 S5
• SMILES: C1(=C2c3cccnc3c3c2cccn3)S[Hg]2(S1)SC(S2)=C1c2cccnc2c2ncccc12.[Na+].O=S(C)C.O.C(C)[N+](CC)(CC)CC
• Title of publication: A stepwise approach to the formation of heterometallic discrete complexes and infinite architectures.
• Authors of publication: Baudron, Stéphane A; Hosseini, Mir Wais; Kyritsakas, Nathalie; Kurmoo, Mohamedally
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 11
• Pages of publication: 1129 - 1139
• a: 15.9344 ± 0.0004 Å
• b: 12.743 ± 0.0003 Å
• c: 37.3352 ± 0.0008 Å
• α: 90°
• β: 99.385 ± 0.001°
• γ: 90°
• Cell volume: 7479.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0951
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No