Information card for entry 2232291

Structure parameters

• Chemical name: <i>trans</i>-(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11- diene-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')bis(nitrito- κ<i>N</i>)cobalt(III) perchlorate hemihydrate
• Formula: C16 H33 Cl Co N6 O8.5
• Calculated formula: C16 H33 Cl Co N6 O8.5
• SMILES: [Co]123([N]4CC[NH]1C(C)(C)CC(=[N]2CC[NH]3C(C)(C)CC=4C)C)(N(=O)=O)N(=O)=O.Cl(=O)(=O)(=O)[O-].O
• Title of publication: <i>trans</i>-(5,7,7,12,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')bis(nitrito-κ<i>N</i>)cobalt(III) perchlorate hemihydrate
• Authors of publication: Roy, Tapashi G.; Nath, Babul C.; Begum, Khadija; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1576 - m1577
• a: 15.7241 ± 0.0005 Å
• b: 6.8989 ± 0.0002 Å
• c: 20.66 ± 0.0008 Å
• α: 90°
• β: 97.196 ± 0.003°
• γ: 90°
• Cell volume: 2223.52 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes