Crystallography Open Database

Information card for entry 4320366

4320365 << 4320366 >> 4320367

Preview

Coordinates	4320366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H24 Cu N3 O2
Calculated formula	C21 H24 Cu N3 O2
SMILES	[Cu]1N(C=C(N(=O)=O)C=[N]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
Title of publication	A New β-Diketiminate Ligand Carrying a Functional Group on the Carbon Framework. Synthesis and Characterization of a Linear Polymeric Copper(I) Complex
Authors of publication	Seiji Yokota; Yoshimitsu Tachi; Nagatoshi Nishiwaki; Masahiro Ariga; Shinobu Itoh
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5316 - 5317
a	7.2949 ± 0.0002 Å
b	15.7167 ± 0.0005 Å
c	16.6267 ± 0.0004 Å
α	90°
β	100.062 ± 0.0007°
γ	90°
Cell volume	1876.96 ± 0.09 Å³
Cell temperature	123.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.031
Weighted residual factors for all reflections included in the refinement	0.046
Goodness-of-fit parameter for all reflections included in the refinement	0.862
Diffraction radiation wavelength	0.7107 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.	4320366.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320366.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320366.cif
17270	2011-04-06	../uploads/cif-deposit/cod/cif Adding structures of 4320366 via cif-deposit CGI script.	4320366.cif