Information card for entry 2209932

Structure parameters

• Chemical name: bis[(18-nitro-2,3,5,6,8,9,11,12,14,15- decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine)potassium chlorochromate]
• Formula: C16 H23 Cl Cr K N O11
• Calculated formula: C16 H23 Cl Cr K N O11
• SMILES: [K]12345[O]6c7c([O]5CC[O]4CC[O]3CC[O]2CC[O]1CC6)ccc(N(=O)=O)c7.[Cr](Cl)(=O)(=O)[O-]
• Title of publication: Bis(μ-18-nitro-2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine)bis[(chlorochromato)potassium]
• Authors of publication: Kotlyar, Sergei A.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Pluzhnik-Gladyr, Sergei M.; Kiriyak, Andrey V.; Chuprin, Gennady N.; Kamalov, Gerbert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1988 - m1989
• a: 8.778 ± 0.001 Å
• b: 9.531 ± 0.001 Å
• c: 13.678 ± 0.001 Å
• α: 100.959 ± 0.009°
• β: 98.728 ± 0.009°
• γ: 98.782 ± 0.009°
• Cell volume: 1090.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.087
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes