Crystallography Open Database

Information card for entry 7009711

Preview

Coordinates	7009711.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[HIr4(CO)8(PPh2)(PPh3)(PPhCPhCPh)]
Formula	C58 H41 Ir4 O8 P3
Calculated formula	C58 H40 Ir4 O8 P3
Title of publication	1,2,3-Triphenylphosphirene derivatives of the iridium carbonyl clusters [HIr4(CO)9L(μ-PPh2)] (L = CO, PPh3) resulting from substitution, insertion and hydrometallation processes †
Authors of publication	Hitchcock, Peter B.; Nixon, John F.; Vargas, Maria D.; Ziglio, Cláudio M.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	15
Pages of publication	2527
a	12.575 ± 0.004 Å
b	20.875 ± 0.005 Å
c	21.202 ± 0.005 Å
α	90°
β	103.35 ± 0.02°
γ	90°
Cell volume	5415 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0981
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1502
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179801 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/97.	7009711.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009711.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009711.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009711.cif