Information card for entry 7036572

Structure parameters

• Formula: C84 H113 Cl3 K N4 O6 Ti3 Zr
• Calculated formula: C78 H107.01 Cl3 K N4 O6 Ti3 Zr
• Title of publication: Homo and heteropolymetallic Group 4 molecular nitrides.
• Authors of publication: Caballo, Jorge; Greño, Maider; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18145 - 18157
• a: 16.515 ± 0.002 Å
• b: 16.515 ± 0.002 Å
• c: 17.886 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4224.7 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No