Crystallography Open Database

Information card for entry 4505078

Preview

Coordinates	4505078.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 Cu3 N2 O14
Calculated formula	C36 H34 Cu3 N2 O14
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	9.5749 ± 0.0004 Å
b	10.4852 ± 0.0003 Å
c	10.83 ± 0.0005 Å
α	113.688 ± 0.002°
β	94.916 ± 0.002°
γ	110.594 ± 0.002°
Cell volume	898.77 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.1699
Weighted residual factors for all reflections included in the refinement	0.1949
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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.	4505078.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4505078.cif
50145	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4505078 via cif-deposit CGI script.	4505078.cif