Information card for entry 2226712

Structure parameters

• Chemical name: Bis[<i>N</i>,<i>N</i>-dimethyl-1-(10<i>H</i>-pyrido[3,2- <i>b</i>][1,4]benzothiazin-10-yl)propan-2-aminium] tetrakis(thiocyanato-κ<i>N</i>)cobaltate(II)
• Formula: C36 H40 Co N10 S6
• Calculated formula: C36 H40 Co N10 S6
• SMILES: c1ccc2c(n1)N(c1c(cccc1)S2)CC([NH+](C)C)C.N(=C=S)[Co](N=C=S)(N=C=S)N=C=S.c1ccc2c(n1)N(c1c(cccc1)S2)CC([NH+](C)C)C
• Title of publication: Bis[<i>N</i>,<i>N</i>-dimethyl-1-(10<i>H</i>-pyrido[3,2-<i>b</i>][1,4]benzothiazin-10-yl)propan-2-aminium] tetrakis(thiocyanato-κ<i>N</i>)cobaltate(II)
• Authors of publication: Arunkashi, H. K.; Jeyaseelan, S.; Vepuri, Suresh Babu; Revanasiddappa, H. D.; Devarajegowda, H. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m772 - m773
• a: 25.242 ± 0.0004 Å
• b: 11.4357 ± 0.0002 Å
• c: 14.5939 ± 0.0002 Å
• α: 90°
• β: 98.557 ± 0.001°
• γ: 90°
• Cell volume: 4165.78 ± 0.11 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0611
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes