Crystallography Open Database

Information card for entry 7206553

7206552 << 7206553 >> 7206554

Preview

Coordinates	7206553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C87 H99 Cd3 N7 O32
Calculated formula	C64 H38 Cd2 N2 O12
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	16.8416 ± 0.0006 Å
b	29.9444 ± 0.0009 Å
c	15.9876 ± 0.0005 Å
α	90°
β	98.076 ± 0.001°
γ	90°
Cell volume	7982.8 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0693
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.161
Weighted residual factors for all reflections included in the refinement	0.1775
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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.	7206553.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206553.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206553.cif
28012	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7206551, 7206552, 7206553, 7206554 via cif-deposit CGI script.	7206553.cif