Information card for entry 2008448

Structure parameters

• Chemical name: 5,9,14,18-N-(2,3,6,8,11,12,15,17-octamethyl-5,9,14,18- tetraazadibenzo-[a,h]-tetraazacyclotetradecene)- dichlorozirconium(IV) tetrahydrofuran solvate(1/0.5)
• Formula: C28 H34 Cl2 N4 O0.5 Zr
• Calculated formula: C28 H34 Cl2 N4 O0.5 Zr
• Title of publication: Dichloro(2,3,6,8,11,12,15,17-octamethyl-5,9,14,18-tetraazadibenzo[<i>a</i>,<i>h</i>]cyclotetradecene-κ^4^<i>N</i>)zirconium(IV) tetrahydrofuran hemisolvate
• Authors of publication: Corden, Jonathan P; Errington, William; Moore, Peter; Wallbridge, Malcolm G H
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 706 - 707
• a: 8.958 ± 0.005 Å
• b: 13.258 ± 0.007 Å
• c: 14.769 ± 0.008 Å
• α: 71.61 ± 0.05°
• β: 88.37 ± 0.04°
• γ: 70.53 ± 0.04°
• Cell volume: 1563.5 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.123
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.709
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No