Crystallography Open Database

Information card for entry 4308086

Preview

Coordinates	4308086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H39 Cl8 Cu4 N5 O6
Calculated formula	C36 H37 Cl8 Cu4 N5 O6
Title of publication	Controlled Copper-Mediated Chlorination of Phenol Rings under Mild Conditions
Authors of publication	Yu-Fei Song; Gerard A. van Albada; Jinkui Tang; Ilpo Mutikainen; Urho Turpeinen; Chiara Massera; Olivier Roubeau; José Sanchez Costa; Patrick Gamez; Jan Reedijk
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4944 - 4950
a	20.824 ± 0.001 Å
b	12.187 ± 0.001 Å
c	18.739 ± 0.001 Å
α	90 ± 0.005°
β	118.415 ± 0.001°
γ	90 ± 0.005°
Cell volume	4182.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0992
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1631
Weighted residual factors for all reflections included in the refinement	0.182
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179118 (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 4/30/80.	4308086.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4308086.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308086.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4308086.cif