Crystallography Open Database

Information card for entry 1541887

Preview

Coordinates	1541887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H35 Cu N O P
Calculated formula	C23 H35 Cu N O P
SMILES	O=C=P[Cu]=C1N(c2c(C(C)C)cccc2C(C)C)C(CC1(CC)CC)(C)C
Title of publication	Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion
Authors of publication	Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	3
Pages of publication	2335
a	9.1985 ± 0.0007 Å
b	15.0111 ± 0.0011 Å
c	16.6696 ± 0.0013 Å
α	90°
β	90.736 ± 0.003°
γ	90°
Cell volume	2301.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0261
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
177722 (current)	2016-03-05	cif/ Updating files of 1541885, 1541886, 1541887, 1541888, 1541889, 1541890, 1541891, 1541892, 1541893, 1541894 Original log message: Adding full bibliography for 1541885--1541894.cif.	1541887.cif
173489	2016-01-05	cif/ Adding structures of 1541885, 1541886, 1541887, 1541888, 1541889, 1541890, 1541891, 1541892, 1541893, 1541894 via cif-deposit CGI script.	1541887.cif