Crystallography Open Database

Information card for entry 4505076

Preview

Coordinates	4505076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cl Cu N O
Calculated formula	C12 H8 Cl Cu N O
Title of publication	Reactivity of 1,4-Bis[2-(5-phenyloxazoly)]benzene toward Cu Salts under Different Reaction Conditions
Authors of publication	Chen, Shu-Mei; Lu, Can-Zhong; Xia, Chang-Kun; Xu, Xin-Jiang; Zhai, Quan-Guo
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	4
Pages of publication	1485
a	3.7498 ± 0.0001 Å
b	11.5531 ± 0.0005 Å
c	11.6843 ± 0.0005 Å
α	89.189 ± 0.005°
β	80.976 ± 0.005°
γ	86.25 ± 0.006°
Cell volume	498.85 ± 0.03 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0584
Weighted residual factors for all reflections included in the refinement	0.0604
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179585 (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 4/50/50.	4505076.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505076.cif
50143	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4505076 via cif-deposit CGI script.	4505076.cif