Information card for entry 7005114

Structure parameters

• Formula: C42 H55 Hg N7 S4
• Calculated formula: C42 H55 Hg N7 S4
• SMILES: C1(=C2c3cccnc3c3c2cccn3)S[Hg]2(SC(=C3c4cccnc4c4c3cccn4)S2)S1.C(C)[N+](CC)(CC)CC.C(C)[N+](CC)(CC)CC.CC#N
• 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: 11.9427 ± 0.0004 Å
• b: 13.0629 ± 0.0005 Å
• c: 14.7549 ± 0.0006 Å
• α: 77.514 ± 0.002°
• β: 71.562 ± 0.002°
• γ: 81.054 ± 0.002°
• Cell volume: 2122.59 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0351
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No