Crystallography Open Database

Information card for entry 4085570

Preview

Coordinates	4085570.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H39 Cl4 O Os P Si2
Calculated formula	C32 H39 Cl4 O Os P Si2
SMILES	[Os]1234(Cl)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([c]5(Cl)[c]1([c]2([c]3([Si](C)(C)C)[cH]45)C)[Si](C)(C)C)C#[O].C(Cl)Cl
Title of publication	Rearrangement of Metallabenzynes to Chlorocyclopentadienyl Complexes
Authors of publication	Chen, Jiangxi; Lee, Ka-Ho; Wen, Tingbin; Gao, Feng; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	5
Pages of publication	890
a	12.2527 ± 0.0003 Å
b	12.6046 ± 0.0004 Å
c	12.9976 ± 0.0004 Å
α	80.454 ± 0.003°
β	85.67 ± 0.002°
γ	63.066 ± 0.003°
Cell volume	1764.83 ± 0.1 Å³
Cell temperature	173 ± 0.14 K
Ambient diffraction temperature	173 ± 0.14 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0376
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178744 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/55.	4085570.cif
134858	2015-04-04	cif/ Updating files of 4085569, 4085570 Original log message: Adding full bibliography for 4085569--4085570.cif.	4085570.cif
132561	2015-02-28	cif/ Adding structures of 4085569, 4085570 via cif-deposit CGI script.	4085570.cif