Crystallography Open Database

Information card for entry 4312660

Preview

Coordinates	4312660.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H25 N3
Calculated formula	C22 H25 N3
SMILES	N(/C=C(\C=N\c1c(cc(cc1C)C)C)C#N)c1c(cc(cc1C)C)C
Title of publication	Substituent Effects of β-Diketiminate Ligands on the Structure and Physicochemical Properties of Copper(II) Complexes
Authors of publication	Chizu Shimokawa; Seiji Yokota; Yoshimitsu Tachi; Nagatoshi Nishiwaki; Masahiro Ariga; Shinobu Itoh
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	8395 - 8405
a	15.458 ± 0.0003 Å
b	15.5024 ± 0.0003 Å
c	16.1439 ± 0.0004 Å
α	90°
β	97.2594 ± 0.0009°
γ	90°
Cell volume	3837.65 ± 0.14 Å³
Cell temperature	158.1 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.066
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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.	4312660.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312660.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312660.cif
5674	2011-01-06	../uploads/cif-deposit/cod/cif Adding structures of 4312660 via cif-deposit CGI script.	4312660.cif