Crystallography Open Database

Information card for entry 4308830

Preview

Coordinates	4308830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 Ag Cl Ir O P3
Calculated formula	C48 H50 Ag Cl Ir O P3
SMILES	[Ir]1([P]([Ag]Cl)(=C1C(C)(C)C)C1CCCCC1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
Title of publication	Auration, Argentation, and Mercuration Reactions of an Iridaphosphirene
Authors of publication	Markus Brym; Cameron Jones; James D. E. T. Wilton-Ely
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	3275 - 3282
a	13.39 ± 0.003 Å
b	15.254 ± 0.003 Å
c	22.148 ± 0.004 Å
α	90°
β	104.21 ± 0.03°
γ	90°
Cell volume	4385.3 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0411
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0664
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
179126 (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 4/30/88.	4308830.cif
120081	2014-07-11	Adding DOIs to range 4/30 structures.	4308830.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4308830.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4308830.cif