Crystallography Open Database

Information card for entry 4312105

Preview

Coordinates	4312105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H72 Cu F20 N2 O4
Calculated formula	C56 H62 Cu F20 N2 O4
Title of publication	Homoleptic Cobalt and Copper Phenolate A2[M(OAr)4] Compounds: The Effect of Phenoxide Fluorination
Authors of publication	Marisa C. Buzzeo; Amber H. Iqbal; Charli M. Long; David Millar; Sonal Patel; Matthew A. Pellow; Sahar A. Saddoughi; Abigail L. Smenton; John F. C. Turner; Jay D. Wadhawan; Richard G. Compton; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7709 - 7725
a	15.0601 ± 0.0009 Å
b	17.5377 ± 0.0011 Å
c	22.8468 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	6034.3 ± 0.7 Å³
Cell temperature	218 ± 2 K
Ambient diffraction temperature	218 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.1722
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179160 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/21.	4312105.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312105.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312105.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4312105.cif
3610	2010-11-16	../uploads/cif-deposit/cod/cif Adding structures of 4312105 via cif-deposit CGI script.	4312105.cif