Crystallography Open Database

Information card for entry 4064192

Preview

Coordinates	4064192.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.5 H64.5 B Cl F4 N2 O1.25 Os P2
Calculated formula	C37.5 H61 B Cl F4 N2 O1.25 Os P2
Title of publication	Osmium NHC Complexes from Alcohol-Functionalized Imidazoles and Imidazolium Salts
Authors of publication	Eguillor, Beatriz; Esteruelas, Miguel A.; García-Raboso, Jorge; Oliván, Montserrat; Oñate, Enrique; Pastor, Isidro M.; Peñafiel, Itziar; Yus, Miguel
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1658
a	11.352 ± 0.003 Å
b	13.48 ± 0.004 Å
c	15.209 ± 0.004 Å
α	75.175 ± 0.005°
β	80.377 ± 0.005°
γ	74.714 ± 0.004°
Cell volume	2157.8 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0447
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0575
Weighted residual factors for all reflections included in the refinement	0.0595
Goodness-of-fit parameter for all reflections included in the refinement	0.845
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.	4064192.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064192.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064192.cif
32811	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064190, 4064191, 4064192 via cif-deposit CGI script.	4064192.cif