Information card for entry 7035087

Structure parameters

• Formula: C99 H135 I14 N8 Pt2 Ti6
• Calculated formula: C90 H126 I14 N8 Pt2 Ti6
• Title of publication: Heterometallic complexes with cube-type [MTi3N4] cores containing Group 10 metals in a variety of oxidation states.
• Authors of publication: Martínez-Espada, Noelia; Mena, Miguel; Pérez-Redondo, Adrián; Varela-Izquierdo, Víctor; Yélamos, Carlos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9782 - 9794
• a: 14.1217 ± 0.001 Å
• b: 20.2594 ± 0.0019 Å
• c: 22.173 ± 0.003 Å
• α: 84.306 ± 0.009°
• β: 77.974 ± 0.007°
• γ: 77.462 ± 0.006°
• Cell volume: 6046.8 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No