Crystallography Open Database

Information card for entry 7113626

Preview

Coordinates	7113626.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H40 Co2 N12 S8
Calculated formula	C76 H40 Co2 N12 S8
Title of publication	Unusual flexibility of 2,5-bis(4-pyridylethynyl)thiophene self-assembled with Co(NCS)2 in a novel coordination polymer
Authors of publication	Uk Son, Seung; Yun Kim, Bo; Ho Choi, Cheol; Won Lee, Soon; Seung Kim, Yong; Keun Chung, Young
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	20
Pages of publication	2528 - 2529
a	27.065 ± 0.001 Å
b	11.383 ± 0.001 Å
c	27.046 ± 0.001 Å
α	90°
β	118.993 ± 0.0001°
γ	90°
Cell volume	7288.1 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1687
Residual factor for significantly intense reflections	0.0698
Weighted residual factors for significantly intense reflections	0.1796
Weighted residual factors for all reflections included in the refinement	0.2105
Goodness-of-fit parameter for all reflections included in the refinement	0.962
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104844
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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