Crystallography Open Database

Information card for entry 4328744

Preview

Coordinates	4328744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C104 H109 B Ge Ir O6 P4 Rh
Calculated formula	C96 H93 B Ge Ir O4 P4 Rh
SMILES	[Ir]123([H][Rh]4([Ge]1(c1ccccc1)(c1ccccc1)[H]4)([P](C[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](C[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#[O])C#[O].c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1
Title of publication	Germyl- and Germylene-Bridged Complexes of Rh/Ir and Subsequent Chemistry of a Bridging Germylene Group
Authors of publication	Md Hosnay Mobarok; Robert McDonald; Michael J. Ferguson; Martin Cowie
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4020 - 4034
a	14.1513 ± 0.0004 Å
b	16.7686 ± 0.0005 Å
c	20.6792 ± 0.0006 Å
α	96.1547 ± 0.0003°
β	108.352 ± 0.0003°
γ	97.5944 ± 0.0004°
Cell volume	4558.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0307
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179390 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/87.	4328744.cif
77742	2013-03-29	cif/ Adding structures of 4328744 via cif-deposit CGI script.	4328744.cif