Crystallography Open Database

Information card for entry 1513341

Preview

Coordinates	1513341.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H43 Cl2 Ir P2
Calculated formula	C18 H43 Cl2 Ir P2
Title of publication	Experimental Characterization of the Hydride (1)H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies.
Authors of publication	Garbacz, Piotr; Terskikh, Victor V.; Ferguson, Michael J.; Bernard, Guy M.; Kędziorek, Mariusz; Wasylishen, Roderick E.
Journal of publication	The journal of physical chemistry. A
Year of publication	2014
Journal volume	118
Journal issue	7
Pages of publication	1203 - 1212
a	8.0646 ± 0.0004 Å
b	8.9616 ± 0.0004 Å
c	16.2738 ± 0.0008 Å
α	90°
β	92.672 ± 0.001°
γ	90°
Cell volume	1174.86 ± 0.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0152
Residual factor for significantly intense reflections	0.0135
Weighted residual factors for significantly intense reflections	0.0318
Weighted residual factors for all reflections included in the refinement	0.0327
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1513341.cif
104071	2014-03-10	cif/ Adding structures of 1513341 via cif-deposit CGI script.	1513341.cif