Crystallography Open Database

Information card for entry 1562417

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Coordinates	1562417.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,2'-bithiophene-5-carboxylic acid
Formula	C9 H6 O2 S2
Calculated formula	C9 H6 O2 S2
Title of publication	Strategic design and synthesis of star-shaped organic linkers for mesoporous MOFs.
Authors of publication	Fucci, Rosa; Vande Velde, Christophe M. L.
Journal of publication	Faraday discussions
Year of publication	2021
Journal volume	231
Journal issue	0
Pages of publication	97 - 111
a	20.4772 ± 0.0013 Å
b	12.4117 ± 0.0008 Å
c	7.2775 ± 0.0008 Å
α	90°
β	96.438 ± 0.007°
γ	90°
Cell volume	1838 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.042
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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