Crystallography Open Database

Information card for entry 1541894

Preview

Coordinates	1541894.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(MePDI)IrCO]2(μ-P2)
Chemical name	[(MePDI)IrCO]2(μ-P2)
Formula	C30 H35 Ir N3 O2 P
Calculated formula	C30 H35 Ir N3 O2 P
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	13.7808 ± 0.0013 Å
b	12.3485 ± 0.0016 Å
c	16.5685 ± 0.0019 Å
α	90°
β	96.53 ± 0.004°
γ	90°
Cell volume	2801.2 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 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	0.0511
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0459
Weighted residual factors for all reflections included in the refinement	0.0471
Goodness-of-fit parameter for all reflections included in the refinement	1.937
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
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.	1541894.cif
173489	2016-01-05	cif/ Adding structures of 1541885, 1541886, 1541887, 1541888, 1541889, 1541890, 1541891, 1541892, 1541893, 1541894 via cif-deposit CGI script.	1541894.cif