Crystallography Open Database

Information card for entry 4312661

Preview

Coordinates	4312661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 N3
Calculated formula	C24 H29 N3
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	8.9281 ± 0.0004 Å
b	19.8377 ± 0.0008 Å
c	11.7517 ± 0.0005 Å
α	90°
β	97.603 ± 0.001°
γ	90°
Cell volume	2063.08 ± 0.15 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	0.042
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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.	4312661.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312661.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312661.cif
5675	2011-01-06	../uploads/cif-deposit/cod/cif Adding structures of 4312661 via cif-deposit CGI script.	4312661.cif