Information card for entry 7005110

Structure parameters

• Formula: C15 H11 N3 S2
• Calculated formula: C15 H10 N3 S2
• 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: 8.1586 ± 0.0003 Å
• b: 11.9152 ± 0.0004 Å
• c: 14.0232 ± 0.0005 Å
• α: 96.836 ± 0.002°
• β: 93.167 ± 0.001°
• γ: 96.595 ± 0.001°
• Cell volume: 1341.28 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No