Crystallography Open Database

Information card for entry 2227626

Preview

Coordinates	2227626.cif
Structure factors	2227626.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Undecacarbonyl-1κ^3^<i>C</i>,2κ^4^<i>C</i>,3κ^4^<i>C</i>- [tris(2-chloroethyl) phosphite-1κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)
Formula	C17 H12 Cl3 O14 P Ru3
Calculated formula	C17 H12 Cl3 O14 P Ru3
SMILES	[Ru]1([Ru]([Ru]1(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])([P](OCCCl)(OCCCl)OCCCl)(C#[O])(C#[O])C#[O]
Title of publication	Undecacarbonyl-1κ^3^<i>C</i>,2κ^4^<i>C</i>,3κ^4^<i>C</i>-[tris(2-chloroethyl) phosphite-1κ<i>P</i>]-<i>triangulo</i>-triruthenium(0)
Authors of publication	bin Shawkataly, Omar; Ghani, Syed Sauban; Jothiramalingam, Rajabathar; Yeap, Chin Sing; Fun, Hoong-Kun
Journal of publication	Acta Crystallographica Section E
Year of publication	2010
Journal volume	66
Journal issue	10
Pages of publication	m1191 - m1192
a	7.8592 ± 0.0009 Å
b	12.5979 ± 0.0014 Å
c	14.8393 ± 0.0017 Å
α	109.442 ± 0.003°
β	93.791 ± 0.003°
γ	90.763 ± 0.003°
Cell volume	1381.4 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0427
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0821
Weighted residual factors for all reflections included in the refinement	0.1195
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	Yes

Version history

Revision	Date	Message	Files
181197 (current)	2016-04-03	hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/76.	2227626.cif 2227626.hkl
176789	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22.	2227626.cif 2227626.hkl
120072	2014-07-11	Adding DOIs to range 2 structures.	2227626.cif 2227626.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2227626.cif 2227626.hkl
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2227626.cif 2227626.hkl
5269	2010-12-22	hkl/ Adding Fobs data for the recent IUCr-published structres.	2227626.cif 2227626.hkl
4663	2010-12-18	../uploads/cif-deposit/cod/cif Adding structures of 2227626 via cif-deposit CGI script.	2227626.cif