Information card for entry 7010189

Structure parameters

• Formula: C47 H60 B2 Cl2 N16 O10 W2
• Calculated formula: C47 H60 B2 Cl2 N16 O10 W2
• Title of publication: The syntheses of metallomacrocycles containing unsymmetrical bridging ligands and the crystal structures of DL-[Mo{HB(3,5-Me2C3HN2)3}(NO)(OC6H4CH2CH2O-4)]2·2CH2Cl2 and DL-[W{HB(3,5-Me2C3HN2)3}(NO)(OC6H3NO2-4-CH2CH2O-3)]2· CH2Cl2 †
• Authors of publication: Berridge, Timothy E.; Barton, Matthew T.; Hamor, Thomas A.; Jones, Christopher J.; McQuillan, Ferida S.; Paxton, Keith; Rowley, Natalie M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 24
• Pages of publication: 4645
• a: 12.489 ± 0.004 Å
• b: 24.166 ± 0.009 Å
• c: 20.568 ± 0.011 Å
• α: 90°
• β: 92.82 ± 0.02°
• γ: 90°
• Cell volume: 6200 ± 5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0861
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1518
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for significantly intense reflections: 1.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No