Crystallography Open Database

Information card for entry 4333018

Preview

Coordinates	4333018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H38 Cl4 O2 Os2
Calculated formula	C20 H38 Cl4 O2 Os2
SMILES	[Os]123456([H][Os]7891([Cl]2)([Cl]3)(Cl)[CH]1=[CH]7CC[CH]8=[CH]9CC1)(Cl)[CH]1=[CH]4CC[CH]5=[CH]6CC1.OCC.[OH2+]CC
Title of publication	Preparation and Characterization of Novel Os−Diolefin Dimers: New Entry to Os−Cyclooctadiene Complexes
Authors of publication	Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	25
Pages of publication	10162 - 10171
a	9.0837 ± 0.0014 Å
b	8.6975 ± 0.0013 Å
c	15.876 ± 0.002 Å
α	90°
β	97.064 ± 0.003°
γ	90°
Cell volume	1244.8 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0831
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	0.961
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
179433 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/30.	4333018.cif
98709	2014-01-30	cif/ Adding structures of 4333018, 4333019, 4333020, 4333021 via cif-deposit CGI script.	4333018.cif