Information card for entry 2004421

Structure parameters

• Chemical name: catena-(tris{μ-2,5-bis[2-(2'-pyridyl)- ethynyl]thiophene-N,N'-dinitratocobalt(II)})
• Formula: C54 H30 Co3 N12 O18 S3
• Calculated formula: C54 H30 Co3 N12 O18 S3
• Title of publication: <i>catena</i>-Poly[dinitratocobalt(II)-μ-2,5-bis{2-(2-pyridyl)ethynyl}thiophene-<i>N</i>:<i>N</i>'], [Co(NO~3~)~2~(C~18~H~10~N~2~S)]~3~
• Authors of publication: Driessen, W. L.; Neenan, T. X.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 59 - 61
• a: 15.51 ± 0.01 Å
• b: 15.178 ± 0.005 Å
• c: 25.66 ± 0.03 Å
• α: 90°
• β: 106.9 ± 0.1°
• γ: 90°
• Cell volume: 5780 ± 9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.165
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for all reflections: 1.617
• Goodness-of-fit parameter for significantly intense reflections: 2.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No