Crystallography Open Database

Information card for entry 4071377

Preview

Coordinates	4071377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H74 Cl7 Cu3 P6
Calculated formula	C79 H74 Cl7 Cu3 P6
Title of publication	Copper(I) Diphosphine Catalysts for C−N Bond Formation: Synthesis, Structure, and Ligand Effects
Authors of publication	Daly, Stephen; Haddow, Mairi F.; Orpen, A. Guy; Rolls, Giles T. A.; Wass, Duncan F.; Wingad, Richard L.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	13
Pages of publication	3196
a	13.596 ± 0.003 Å
b	14.178 ± 0.003 Å
c	19.478 ± 0.004 Å
α	90.24 ± 0.03°
β	90.3 ± 0.03°
γ	90.96 ± 0.03°
Cell volume	3754 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0646
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1378
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	0.976
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178602 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/13.	4071377.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071377.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071377.cif
43174	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071377, 4071378, 4071379, 4071380, 4071381 via cif-deposit CGI script.	4071377.cif