Information card for entry 2219632

Structure parameters

• Chemical name: Di-μ-chlorido-chlorido-1κCl-(μ-1-phenyl-3-phenyliminobut-1-enolato- 1:2κ^3^O:O,N)bis(1-phenyl-3-phenyliminobut-1-enolato)-1κ^2^N,O;2κ^2^N,O- dichromium(III) toluene disolvate
• Formula: C62 H58 Cl3 Cr2 N3 O3
• Calculated formula: C62 H58 Cl3 Cr2 N3 O3
• SMILES: [Cr]123([Cl][Cr]45([Cl]1)([N](c1ccccc1)=C(C=C(c1ccccc1)[O]24)C)[N](c1ccccc1)=C(C=C(c1ccccc1)O5)C)(Cl)[N](c1ccccc1)=C(C=C(c1ccccc1)O3)C.Cc1ccccc1.Cc1ccccc1
• Title of publication: Di-μ-chlorido-chlorido-1κ<i>Cl</i>-(μ-1-phenyl-3-phenyliminobut-1-enolato-1:2κ^3^<i>O</i>:<i>O</i>,<i>N</i>)bis(1-phenyl-3-phenyliminobut-1-enolato)-1κ^2^<i>N</i>,<i>O</i>;2κ^2^<i>N</i>,<i>O</i>-dichromium(III) toluene disolvate
• Authors of publication: Tang, Liming; Li, Zuo-Xi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1230
• a: 17.829 ± 0.004 Å
• b: 12.644 ± 0.003 Å
• c: 25.038 ± 0.005 Å
• α: 90°
• β: 90.9 ± 0.03°
• γ: 90°
• Cell volume: 5644 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0629
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes