Information card for entry 7103510

Structure parameters

• Formula: C34 H46 N6 O14 Zn2
• Calculated formula: C31.0675 H39.1575 N5.0225 O13.0225 Zn2
• Title of publication: Chemoenzymatic synthesis of chiral 4,4'-bipyridyls and their metal-organic frameworks.
• Authors of publication: Sbircea, Lenuta; Sharma, Narain D; Clegg, William; Harrington, Ross W; Horton, Peter N; Hursthouse, Michael B; Apperley, David C; Boyd, Derek R; James, Stuart L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5538 - 5540
• a: 8.7994 ± 0.0006 Å
• b: 53.888 ± 0.003 Å
• c: 8.8039 ± 0.0006 Å
• α: 90°
• β: 90.111 ± 0.002°
• γ: 90°
• Cell volume: 4174.6 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.6893 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No