Crystallography Open Database

Information card for entry 7015451

Preview

Coordinates	7015451.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88.76 H80.42 Cl2.82 Cu4 F12 O3.59 P6 S4
Calculated formula	C88.7624 H80.412 Cl2.824 Cu4 F12 O3.5872 P6 S4
Title of publication	Cu(I) complexes containing a multidentate and conformationally flexible dibenzylidene acetone ligand (dbathiophos): application in catalytic alkene cyclopropanation.
Authors of publication	Jarvis, Amanda G.; Whitwood, Adrian C.; Fairlamb, Ian J. S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	14
Pages of publication	3695 - 3702
a	12.0204 ± 0.0007 Å
b	14.5437 ± 0.0009 Å
c	15.1233 ± 0.0009 Å
α	71.942 ± 0.001°
β	71.271 ± 0.001°
γ	66.585 ± 0.001°
Cell volume	2246.5 ± 0.2 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1305
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179858 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/54.	7015451.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015451.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015451.cif
21153	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015450, 7015451, 7015452, 7015453 via cif-deposit CGI script.	7015451.cif