Crystallography Open Database

Information card for entry 7019468

7019467 << 7019468 >> 7019469

Preview

Coordinates	7019468.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H90 Cu2 N4 O4
Calculated formula	C58.776 H89.96 Cu2 N4 O4
Title of publication	Non-innocent ligand behaviour of a bimetallic Cu complex employing a bridging catecholate.
Authors of publication	Dunn, Tim J.; Chiang, Linus; Ramogida, Caterina F.; Webb, Michael I.; Savard, Didier; Sakaguchi, Miyuki; Ogura, Takashi; Shimazaki, Yuichi; Storr, Tim
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	26
Pages of publication	7905 - 7914
a	13.2468 ± 0.0012 Å
b	15.112 ± 0.0014 Å
c	15.5449 ± 0.0014 Å
α	71.939 ± 0.004°
β	71.13 ± 0.004°
γ	85.922 ± 0.004°
Cell volume	2798.1 ± 0.5 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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 all reflections	0.0616
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0827
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179898 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/94.	7019468.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019468.cif
62878	2012-07-09	cif/ Adding structures of 7019468 via cif-deposit CGI script.	7019468.cif