Crystallography Open Database

Information card for entry 4065582

Preview

Coordinates	4065582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 Cu4 F24 N24 O2 P4
Calculated formula	C46 H44 Cu4 F24 N24 O2 P4
Title of publication	Copper(II) Hydroxide Complexes of N-Heterocyclic Carbenes and Catalytic Oxidative Amination of Arylboronic Acids
Authors of publication	Liu, Bo; Liu, Bin; Zhou, Yongbo; Chen, Wanzhi
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	6
Pages of publication	1457
a	10.9972 ± 0.0013 Å
b	24.11 ± 0.003 Å
c	13.0681 ± 0.0015 Å
α	90°
β	105.312 ± 0.002°
γ	90°
Cell volume	3341.9 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1608
Residual factor for significantly intense reflections	0.1143
Weighted residual factors for significantly intense reflections	0.2749
Weighted residual factors for all reflections included in the refinement	0.2989
Goodness-of-fit parameter for all reflections included in the refinement	1.154
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
178548 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/55.	4065582.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4065582.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4065582.cif
33608	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4065579, 4065580, 4065581, 4065582, 4065583 via cif-deposit CGI script.	4065582.cif