Information card for entry 7110370

Structure parameters

• Chemical name: chloro(1-carboxymethyl-4-methyl-1,4,8,11-tetraazacyclotetradecane)- cobalt (III) perchlorate
• Formula: C13 H25 Cl2 Co N4 O6
• Calculated formula: C13 H25 Cl2 Co N4 O6
• 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: 8.456 ± 0.002 Å
• b: 9.689 ± 0.003 Å
• c: 12.161 ± 0.006 Å
• α: 90.95 ± 0.03°
• β: 109.51 ± 0.03°
• γ: 96.09 ± 0.02°
• Cell volume: 932.4 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No