Crystallography Open Database

Information card for entry 4309634

Preview

Coordinates	4309634.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	04300
Chemical name	(PhMe)LiPr2CuO2
Formula	C32 H41 Cu N2 O2
Calculated formula	C32 H41 Cu N2 O2
SMILES	[Cu]12(N(c3ccccc3C(=[N]1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)OO2
Title of publication	Characterization of a 1:1 Cu-O2 Adduct Supported by an Anilido Imine Ligand
Authors of publication	Anne M. Reynolds; Benjamin F. Gherman; Christopher J. Cramer; William B. Tolman
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6989 - 6997
a	36.846 ± 0.006 Å
b	9.2961 ± 0.0014 Å
c	24.176 ± 0.004 Å
α	90°
β	125.372 ± 0.002°
γ	90°
Cell volume	6752.3 ± 1.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1014
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	0.973
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179134 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/96.	4309634.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309634.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309634.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309634.cif