Information card for entry 7110369

Structure parameters

• Chemical name: (1-carboxymethyl-4-methylene-1,4,8,11-tetraazacyclotetradecane) -cobalt (III) percholorate
• Formula: C49 H59 B Co N4 O2
• Calculated formula: C49 H59 B Co N4 O2
• Title of publication: Decarboxylation of an α-amino acid coordinated to cobalt(iii): kinetic stabilisation and molecular structure of a Co‒C‒N three-membered ring incorporated into a cobalt(iii) macrocyclic ligand complex†‡
• Authors of publication: Tonei, Deborah M.; Baker, Lisa-Jane; Brothers, Penelope J.; Clark, George R.; Ware, David C.
• Journal of publication: Chemical Communications
• Year of publication: 1998
• Journal issue: 23
• Pages of publication: 2593
• a: 14.8555 ± 0.0005 Å
• b: 17.4488 ± 0.0006 Å
• c: 17.2455 ± 0.0006 Å
• α: 90°
• β: 110.277 ± 0.001°
• γ: 90°
• Cell volume: 4193.2 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No