Information card for entry 7010884

Structure parameters

• Formula: C10 H29 Cl5 Co N5 O2 Zn
• Calculated formula: C10 H29 Cl5 Co N5 O2 Zn
• SMILES: [Zn](Cl)(Cl)([Cl-])[Cl-].[Co]1234(Cl)[NH](CC[NH]4C(O)C[NH2]2)CC[NH]3CC[NH2]1.OCC
• Title of publication: Polydentate ligand construction: a re-examination of an intramolecular condensation reactionElectronic supplementary information (ESI) available: crystal data tables. See http://www.rsc.org/suppdata/dt/b1/b104976n/
• Authors of publication: Browne, Julian M. W.; Wikaira, Jan; Hartshorn, Richard M.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 3513
• a: 10.548 ± 0.003 Å
• b: 8.838 ± 0.002 Å
• c: 22.21 ± 0.006 Å
• α: 90°
• β: 98.98 ± 0.004°
• γ: 90°
• Cell volume: 2045.1 ± 0.9 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0401
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No