Crystallography Open Database

Information card for entry 7009762

Preview

Coordinates	7009762.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H17 Cd N2 O4.5 S2
Calculated formula	C24 H17 Cd N2 O4.5 S2
Title of publication	Towards rational synthesis of polar solids. Synthesis and X-ray structures of cadmium(II) meta-pyridinecarboxylate coordination polymers †
Authors of publication	Evans, Owen R.; Lin, Wenbin
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	21
Pages of publication	3949
a	15.0989 ± 0.0007 Å
b	20.3404 ± 0.001 Å
c	15.1155 ± 0.0007 Å
α	90°
β	97.982 ± 0.001°
γ	90°
Cell volume	4597.3 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.1245
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1415
Weighted residual factors for all reflections included in the refinement	0.1615
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7009762.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009762.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009762.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009762.cif