Information card for entry 7216574

Structure parameters

• Common name: Compound 7
• Chemical name: Delta-tris(R,R-trans-1,2-diaminocyclohexane)chromiumtrichloride Lambda-tris(S,S-trans-1,2-diaminocyclohexane)cobalt(III)trichloride tetrahydrate
• Formula: C36 H92 Cl6 Co Cr N12 O4
• Calculated formula: C36 H92 Cl6 Co Cr N12 O4
• SMILES: [Co]123([NH2][C@@H]4[C@H](CCCC4)[NH2]1)([NH2][C@@H]1[C@H](CCCC1)[NH2]2)[NH2][C@@H]1[C@H](CCCC1)[NH2]3.[Cr]123([NH2][C@H]4[C@@H](CCCC4)[NH2]1)([NH2][C@@H]1CCCC[C@H]1[NH2]3)[NH2][C@H]1[C@@H](CCCC1)[NH2]2.O.O.[Cl-].[Cl-].[Cl-].[Cl-].O.O.[Cl-].[Cl-]
• Title of publication: Chiral Cr(iii) and Co(iii) complex cations as building blocks for ordered and disordered salts
• Authors of publication: Kalf, Irmgard; Calmuschi, Beatrice; Englert, Ulli
• Journal of publication: CrystEngComm
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 91
• Pages of publication: 548
• a: 18.924 ± 0.004 Å
• b: 19.117 ± 0.003 Å
• c: 13.892 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5026 ± 2 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 7
• Space group number: 24
• Hermann-Mauguin space group symbol: I 21 21 21
• Hall space group symbol: I 2b 2c
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No