Crystallography Open Database

Information card for entry 7207543

7207542 << 7207543 >> 7207544

Preview

Coordinates	7207543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H57 Cd2 N22 O19.5
Calculated formula	C51 H58.5 Cd2 N22 O19.5
Title of publication	Synthesis, structure, fluorescent and magnetic properties of a series of coordination polymers based on a long and flexible bis-triazole ligand
Authors of publication	Wang, Nan; Feng, Yue-Chao; Shi, Wei; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	8
Pages of publication	2769
a	16.2938 ± 0.0004 Å
b	19.3536 ± 0.0004 Å
c	38.9277 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	12275.6 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1122
Residual factor for significantly intense reflections	0.0985
Weighted residual factors for significantly intense reflections	0.2269
Weighted residual factors for all reflections included in the refinement	0.2321
Goodness-of-fit parameter for all reflections included in the refinement	1.1
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.	7207543.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207543.cif
52031	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 7207539, 7207540, 7207541, 7207542, 7207543, 7207544 via cif-deposit CGI script.	7207543.cif