Crystallography Open Database

Information card for entry 4310136

Preview

Coordinates	4310136.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(IPr)Cu(NHPh)
Formula	C33 H42 Cu N3
Calculated formula	C33 H42 Cu N3
SMILES	[Cu](Nc1ccccc1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Cleavage of X-H Bonds (X = N, O, or C) by Copper(I) Alkyl Complexes To Form Monomeric Two-Coordinate Copper(I) Systems
Authors of publication	Laurel A. Goj; Elizabeth D. Blue; Colleen Munro-Leighton; T. Brent Gunnoe; Jeffrey L. Petersen
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8647 - 8649
a	11.915 ± 0.002 Å
b	12.453 ± 0.002 Å
c	20.742 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3077.6 ± 0.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0616
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1127
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179140 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/01.	4310136.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310136.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310136.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4310136.cif