Crystallography Open Database

Information card for entry 4503678

Preview

Coordinates	4503678.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9.21 H10 B0.79 Cu F3.17 N13.21 O S1.21
Calculated formula	C9.206 H10 B0.794 Cu F3.176 N13.206 O S1.206
Title of publication	Anions-Directed Metal-Mediated Assemblies of Coordination Polymers Based on the Bis(4,4′-bis-1,2,4-triazole) Ligand
Authors of publication	Huang, Yong-Quan; Zhao, Xiao-Qing; Shi, Wei; Liu, Wen-Yong; Chen, Zhong-Lei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	10
Pages of publication	3652
a	10.964 ± 0.003 Å
b	12.672 ± 0.003 Å
c	12.837 ± 0.003 Å
α	90°
β	91.011 ± 0.005°
γ	90°
Cell volume	1783.2 ± 0.8 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	8
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	0.043
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.114
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179571 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/36.	4503678.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503678.cif
41705	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503678 via cif-deposit CGI script.	4503678.cif