Information card for entry 2207581

Structure parameters

• Common name: trichloro(tmtacn)chromium(III)
• Chemical name: Trichloro(1,4,7-trimethyl-1,4,7-triazacyclononane)chromium(III)
• Formula: C9 H21 Cl3 Cr N3
• Calculated formula: C9 H21 Cl3 Cr N3
• SMILES: [Cr]12(Cl)(Cl)(Cl)[N]3(C)CC[N]1(C)CC[N]2(C)CC3
• Title of publication: Trichloro(1,4,7-trimethyl-1,4,7-triazacyclononane)chromium(III)
• Authors of publication: Klitgaard, Søren Kegnaes; Magnussen, Magnus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2616 - m2617
• a: 12.1518 ± 0.0014 Å
• b: 7.2055 ± 0.0005 Å
• c: 15.6894 ± 0.0014 Å
• α: 90°
• β: 90.212 ± 0.008°
• γ: 90°
• Cell volume: 1373.8 ± 0.2 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 5
• 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: 0.0444
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes