Information card for entry 7013645

Structure parameters

• Formula: C18 H26 Cl Co N4 O9
• Calculated formula: C18 H26 Cl Co N4 O9
• SMILES: [Co]123(OC(=O)c4[n]3cccc4)(OC(=O)c3[n]2cccc3)[NH2]CC[N]1(CC)CC.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Anionic carbonato and oxalato cobalt(III) nitrogen mustard complexes.
• Authors of publication: Craig, Peter R.; Brothers, Penelope J.; Clark, George R.; Wilson, William R.; Denny, William A.; Ware, David C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 611 - 618
• a: 26.6696 ± 0.0001 Å
• b: 41.0358 ± 0.0002 Å
• c: 7.9862 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8740.16 ± 0.12 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No