Information card for entry 7005116

Structure parameters

• Formula: C34 H42 N4 Na2 Ni O5 S9
• Calculated formula: C34 H36 N4 Na2 Ni O5 S9
• SMILES: [Na+].[Ni]12(SC(=C3c4cccnc4c4c3cccn4)S1)SC(=C1c3cccnc3c3c1cccn3)S2.[Na+].O=S(C)C.O=S(C)C.O=S(C)C.O=S(C)C.O=S(C)C
• 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: 15.4567 ± 0.0004 Å
• b: 13.0732 ± 0.0004 Å
• c: 22.4156 ± 0.0006 Å
• α: 90°
• β: 106.58 ± 0.001°
• γ: 90°
• Cell volume: 4341.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No