Crystallography Open Database

Information card for entry 7206554

7206553 << 7206554 >> 7206555

Preview

Coordinates	7206554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H84 Cd3 N12 O18
Calculated formula	C84 H84 Cd3 N12 O18
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	28.055 ± 0.01 Å
b	17.775 ± 0.006 Å
c	18.682 ± 0.007 Å
α	90°
β	117.571 ± 0.009°
γ	90°
Cell volume	8258 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1894
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.2044
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7206554.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206554.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206554.cif
28012	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7206551, 7206552, 7206553, 7206554 via cif-deposit CGI script.	7206554.cif