Information card for entry 2223965

Structure parameters

• Chemical name: Bis[aqua(2,3-naphtho-15-crown-5)sodium] tetrakis(thiocyanato-κ<i>N</i>)cobaltate(II)
• Formula: C40 H48 Co N4 Na2 O12 S4
• Calculated formula: C40 H48 Co N4 Na2 O12 S4
• SMILES: N(=C=S)[Co](N=C=S)(N=C=S)N=C=S.[Na]1234([OH2])[O]5c6cc7c(cccc7)cc6[O]1CC[O]2CC[O]3CC[O]4CC5.[Na]1234([OH2])[O]5c6cc7c(cccc7)cc6[O]1CC[O]2CC[O]3CC[O]4CC5
• Title of publication: Bis[aqua(2,3-naphtho-15-crown-5)sodium] tetrakis(thiocyanato-κ<i>N</i>)cobaltate(II)
• Authors of publication: Li, Chengjuan; Li, Da-Cheng; Wang, Da-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1314
• a: 23.03 ± 0.005 Å
• b: 13.17 ± 0.003 Å
• c: 17.469 ± 0.004 Å
• α: 90°
• β: 115.255 ± 0.003°
• γ: 90°
• Cell volume: 4792 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1166
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes