Information card for entry 7005111

Structure parameters

• Formula: C40 H52 N6 Ni S4
• Calculated formula: C40 H52 N6 Ni S4
• 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: 10.9471 ± 0.0004 Å
• b: 14.3923 ± 0.0005 Å
• c: 14.6576 ± 0.0009 Å
• α: 108.838 ± 0.002°
• β: 103.726 ± 0.002°
• γ: 103.735 ± 0.002°
• Cell volume: 1995.54 ± 0.17 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: 0.0918
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No