Crystallography Open Database

Information card for entry 4024711

Preview

Coordinates	4024711.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H40 Cl6 Cu N2
Calculated formula	C28 H40 Cl6 Cu N2
Title of publication	Anionic Halocuprate(II) Complexes as Catalysts for the Oxaziridine-Mediated Aminohydroxylation of Olefins
Authors of publication	Tamas Benkovics; Juana Du; Ilia A. Guzei; Tehshik P. Yoon
Journal of publication	Journal of Organic Chemistry
Year of publication	2009
Journal volume	74
Pages of publication	5545 - 5552
a	14.13 ± 0.003 Å
b	10.583 ± 0.002 Å
c	21.383 ± 0.004 Å
α	90°
β	90.471 ± 0.003°
γ	90°
Cell volume	3197.3 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0976
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1311
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4024711.cif
120074	2014-07-11	Adding DOIs to range 4/02 structures.	4024711.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4024711.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	4024711.cif
948	2010-01-19	cif/ Adding CIFs for the Acta-Cryst-B-2009_06/ Acta-Cryst-C-2009_12/ Acta-Cryst-E-2009_12/ J-Appl-Cryst-2009_06/ J-Org-Chem-2009/ deposition.	4024711.cif