Information card for entry 7010882

Structure parameters

• Formula: C8 H21 Cl5 Co N5 Zn
• Calculated formula: C8 H21 Cl5 Co N5 Zn
• SMILES: [Co]1234([NH2]CC[NH]1CC[NH]2CC[N]3=CC[NH2]4)Cl.[Zn](Cl)(Cl)([Cl-])[Cl-]
• 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: 10.752 ± 0.005 Å
• b: 9.51 ± 0.004 Å
• c: 17.268 ± 0.007 Å
• α: 90°
• β: 91.095 ± 0.005°
• γ: 90°
• Cell volume: 1765.4 ± 1.3 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• 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: 0.0312
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No