Crystallography Open Database

Information card for entry 4302972

Preview

Coordinates	4302972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H46 Cu N O2 P2
Calculated formula	C25 H46 Cu N O2 P2
SMILES	[Cu]1([P](Cc2nc(ccc2)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)OC(=O)C
Title of publication	CuI Complexes with a Noninnocent PNP Ligand: Selective Dearomatization and Electrophilic Addition Reactivity
Authors of publication	Jarl Ivar van der Vlugt; Evgeny A. Pidko; Dieter Vogt; Martin Lutz; Anthony L. Spek
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	7513 - 7515
a	8.9008 ± 0.0001 Å
b	14.301 ± 0.0002 Å
c	11.2391 ± 0.0001 Å
α	90°
β	108.296 ± 0.0006°
γ	90°
Cell volume	1358.31 ± 0.03 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0252
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
179067 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/29.	4302972.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4302972.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4302972.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4302972.cif