Crystallography Open Database

Information card for entry 4066536

Preview

Coordinates	4066536.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53.5 H52 Cl2 Os P2
Calculated formula	C53.5 H52 Cl2 Os P2
Title of publication	Substituted Cyclopentadienyl Osmium Complexes from the Reactions of OsH3Cl(PPh3)3with Fulvenes and Cyclopentadienes
Authors of publication	Tse, Sunny Kai San; Bai, Wei; Sung, Herman Ho-Yung; Williams, Ian Duncan; Jia, Guochen
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	16
Pages of publication	3571
a	12.5156 ± 0.0001 Å
b	20.4199 ± 0.0002 Å
c	17.1641 ± 0.0002 Å
α	90°
β	94.407 ± 0.001°
γ	90°
Cell volume	4373.61 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0783
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
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.	4066536.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066536.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066536.cif
33919	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066530, 4066531, 4066532, 4066533, 4066534, 4066535, 4066536 via cif-deposit CGI script.	4066536.cif