Crystallography Open Database

Information card for entry 7006621

Preview

Coordinates	7006621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H71 Cu N3 O5
Calculated formula	C48 H70 Cu N3 O5
Title of publication	(N-Benzyl-bis-N',N''-salicylidene)-cis-1,3,5-triaminocyclohexane copper(II): a novel catalyst for the aerobic oxidation of benzyl alcohol.
Authors of publication	Nairn, Alison K.; Archibald, Stephen J.; Bhalla, Rajiv; Gilbert, Bruce C.; Maclean, Elizabeth J.; Teat, Simon J.; Walton, Paul H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	1
Pages of publication	172 - 176
a	13.2972 ± 0.0012 Å
b	15.5508 ± 0.0014 Å
c	23.798 ± 0.002 Å
α	99.359 ± 0.002°
β	102.082 ± 0.002°
γ	104.52 ± 0.002°
Cell volume	4536.4 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.076
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1598
Weighted residual factors for all reflections included in the refinement	0.1658
Goodness-of-fit parameter for all reflections included in the refinement	0.918
Diffraction radiation wavelength	0.6883 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179770 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/66.	7006621.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006621.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006621.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006621.cif