Information card for entry 7010883

Structure parameters

• Formula: C12 H33 Br2 Cl Co N5 O2
• Calculated formula: C12 H33 Br2 Cl Co N5 O2
• SMILES: [Br-].[Co]123(Cl)([NH2]CC[NH]1CC[NH]2CC[NH2]3)[NH2]CC(OCC)OCC.[Br-]
• 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: 14.618 ± 0.007 Å
• b: 18.114 ± 0.009 Å
• c: 7.712 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2042.1 ± 1.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No