Crystallography Open Database

Information card for entry 1516921

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Coordinates	1516921.cif

Structure parameters

Formula	C28 H25 Cd N2 O9
Calculated formula	C28 H25 Cd N2 O9
Title of publication	The nature of the metal ions influenced formation of coordination polymers based on asymmetric semi-rigid 3-(4-carboxyphenoxy)phthalic acid with N-heterocyclic ligands
Authors of publication	Jun Chen; Guo-Ping Yang; Wen-Huan Huang; Ling-Yan Pang; Cui-Ping Zhang; Yao-Yu Wang; Qi-Zhen Shi
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	400
Pages of publication	7 - 12
a	26.164 ± 0.004 Å
b	9.233 ± 0.0015 Å
c	23.666 ± 0.004 Å
α	90°
β	108.41 ± 0.003°
γ	90°
Cell volume	5424.5 ± 1.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1015
Residual factor for significantly intense reflections	0.0662
Weighted residual factors for significantly intense reflections	0.156
Weighted residual factors for all reflections included in the refinement	0.1888
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516921.cif
119639	2014-07-08	cif/ Adding structures of 1516921 via cif-deposit CGI script.	1516921.cif