Information card for entry 7009045

Structure parameters

• Formula: C18 H27 Cl3 Cr N3
• Calculated formula: C18 H27 Cl3 Cr N3
• Title of publication: Group 6 metal complexes of 1,3,5-tri(4-pentynyl)-1,3,5-triazacyclohexane
• Authors of publication: Baker, Murray V.; Brown, David H.; Skelton, Brian W.; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 763
• a: 15.53 ± 0.005 Å
• b: 13.77 ± 0.007 Å
• c: 12.697 ± 0.005 Å
• α: 115.93 ± 0.03°
• β: 101.53 ± 0.03°
• γ: 105.48 ± 0.03°
• Cell volume: 2190.7 ± 1.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.101
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections: 1.284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.421
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No