Crystallography Open Database

Information card for entry 4085569

Preview

Coordinates	4085569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49.5 H91 Cl5 Os P2 Si2
Calculated formula	C49.5 H91.04 Cl5.01 Os P2 Si2
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	20.145 ± 0.002 Å
b	18.337 ± 0.002 Å
c	16.97 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	6268.7 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4085569.cif
134858	2015-04-04	cif/ Updating files of 4085569, 4085570 Original log message: Adding full bibliography for 4085569--4085570.cif.	4085569.cif
132561	2015-02-28	cif/ Adding structures of 4085569, 4085570 via cif-deposit CGI script.	4085569.cif