Information card for entry 2013907

Structure parameters

• Chemical name: cis-Dinitrito(1,4,8,11-tetraazacyclotetradecane-κ^4^N)chromium(III) nitrite
• Formula: C10 H24 Cr N7 O6
• Calculated formula: C10 H24 Cr N7 O6
• SMILES: C1CC[NH]2CC[NH]3[Cr]42([NH]1CC[NH]4CCC3)(ON=O)ON=O.N(=O)[O-]
• Title of publication: <i>cis</i>-Dinitrito(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)chromium(III) nitrite
• Authors of publication: Jong-Ha Choi; In-Gyung Oh; Woo-Taik Lim; Ki-Min Park
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m238 - m240
• a: 9.878 ± 0.002 Å
• b: 11.813 ± 0.002 Å
• c: 14.837 ± 0.003 Å
• α: 90°
• β: 104.69 ± 0.03°
• γ: 90°
• Cell volume: 1674.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes