Crystallography Open Database

Information card for entry 7206552

7206551 << 7206552 >> 7206553

Preview

Coordinates	7206552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.5 H35.5 Cd N2.5 O9.5
Calculated formula	C38.5 H26 Cd N2.5 O9.5
Title of publication	The diverse structures of Cd(ii) coordination polymers with 1,3,5-benzenetribenzoate tuned by organic bases
Authors of publication	Xiang, Hua; Gao, Wen-Yang; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	19
Pages of publication	5825
a	9.1268 ± 0.0002 Å
b	26.2489 ± 0.0007 Å
c	15.3536 ± 0.0004 Å
α	90°
β	91.42 ± 0.001°
γ	90°
Cell volume	3677.11 ± 0.16 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1731
Weighted residual factors for all reflections included in the refinement	0.1797
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7206552.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206552.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206552.cif
28012	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7206551, 7206552, 7206553, 7206554 via cif-deposit CGI script.	7206552.cif