Crystallography Open Database

Information card for entry 4504854

Preview

Coordinates	4504854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Cu0.5 N O2
Calculated formula	C12 H8 Cu0.5 N O2
Title of publication	Syntheses and Crystal Structures of Copper(II) Coordination Polymers Comprising Discrete Helical Chains
Authors of publication	Wang, Ruihu; Zhou, Youfu; Sun, Yanqiong; Yuan, Daqiang; Han, Lei; Lou, Benyong; Wu, Benlai; Hong, Maochun
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	1
Pages of publication	251
a	20.194 ± 0.002 Å
b	9.5131 ± 0.0009 Å
c	11.4251 ± 0.0012 Å
α	90°
β	117.022 ± 0.002°
γ	90°
Cell volume	1955.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0532
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4504854.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	4504854.cif
50015	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4504854 via cif-deposit CGI script.	4504854.cif