Information card for entry 7012650

Structure parameters

• Chemical name: Cobalt(I) Chloride 1:2 Complex with Beryllium 3-(4-Pyridyl)-2,4-pentanedionate, monohydrate
• Formula: C40 H42 Be2 Cl2 Co N4 O9
• Calculated formula: C40 H42 Be2 Cl2 Co N4 O9
• SMILES: [Co](Cl)(Cl)([n]1ccc(cc1)C2=C(C)O[Be]3(OC(=C(C(=[O]3)C)c3ccncc3)C)[O]=C2C)[n]1ccc(cc1)C2=C(C)O[Be]3(OC(=C(C(=[O]3)C)c3ccncc3)C)[O]=C2C.O
• Title of publication: Two-step construction of molecular and polymeric mixed-metal Cu(Co)/Be complexes employing functionality of a pyridyl substituted acetylacetonateElectronic supplementary information (ESI) available: synthesis and crystallography. See http://www.rsc.org/suppdata/dt/b2/b212733d/
• Authors of publication: Vreshch, Volodimir D.; Chernega, Alexander N.; Howard, Judith A. K.; Sieler, Joachim; Domasevitch, Konstantin V.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1707
• a: 27.473 ± 0.002 Å
• b: 11.2165 ± 0.0005 Å
• c: 13.7859 ± 0.001 Å
• α: 90°
• β: 103 ± 0.008°
• γ: 90°
• Cell volume: 4139.3 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections: 0.1231
• Weighted residual factors for significantly intense reflections: 0.1111
• Goodness-of-fit parameter for all reflections: 0.905
• Goodness-of-fit parameter for significantly intense reflections: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No