Crystallography Open Database

Information card for entry 4075099

Preview

Coordinates	4075099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H68 B Cl2 Cu F4 N4
Calculated formula	C55 H68 B Cl2 Cu F4 N4
SMILES	[Cu](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.ClCCl.[B](F)(F)(F)[F-]
Title of publication	Cationic Copper(I) Complexes as Efficient Precatalysts for the Hydrosilylation of Carbonyl Compounds
Authors of publication	Díez-González, Silvia; Scott, Natalie M.; Nolan, Steven P.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	9
Pages of publication	2355
a	25.989 ± 0.0009 Å
b	25.989 ± 0.0009 Å
c	33.365 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	22535.7 ± 1.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	110
Hermann-Mauguin space group symbol	I 41 c d
Hall space group symbol	I 4bw -2c
Residual factor for all reflections	0.1081
Residual factor for significantly intense reflections	0.0921
Weighted residual factors for significantly intense reflections	0.2125
Weighted residual factors for all reflections included in the refinement	0.2235
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178639 (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 4/07/50.	4075099.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075099.cif
49070	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075099 via cif-deposit CGI script.	4075099.cif