Information card for entry 7036570

Structure parameters

• Formula: C36 H63 N5 Si2 Ti4
• Calculated formula: C36 H63 N5 Si2 Ti4
• SMILES: C[Si](C)(C)N([Si](C)(C)C)[Ti]12345N6[Ti]789%10%11%12%133([c]3([c]%10([c]9([c]8([c]73C)C)C)C)C)N3[Ti]789%10%1446%12([c]4([c]7([c]8([c]9([c]%104C)C)C)C)C)N2[Ti]24675%133%14([c]3([c]2([c]4([c]6([c]73C)C)C)C)C)N1%11
• 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: 11.5966 ± 0.0006 Å
• b: 11.7721 ± 0.0005 Å
• c: 17.3188 ± 0.0019 Å
• α: 81.304 ± 0.005°
• β: 87.722 ± 0.006°
• γ: 66.101 ± 0.004°
• Cell volume: 2136.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0817
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No