Crystallography Open Database

Information card for entry 4072338

Preview

Coordinates	4072338.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.75 H38.5 Cl2 N3 O0.25 Os P
Calculated formula	C25.75 H38.5 Cl2 N3 O0.25 Os P
Title of publication	NH-Tautomerization of 2-Substituted Pyridines and Quinolines on Osmium and Ruthenium: Determining Factors and Mechanism
Authors of publication	Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; Oñate, Enrique
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	23
Pages of publication	6236
a	9.2152 ± 0.0011 Å
b	16.7244 ± 0.0019 Å
c	18.191 ± 0.002 Å
α	91.582 ± 0.002°
β	99.521 ± 0.002°
γ	95.268 ± 0.002°
Cell volume	2750.7 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0934
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0907
Goodness-of-fit parameter for all reflections included in the refinement	0.664
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.	4072338.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4072338.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072338.cif
44356	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4072337, 4072338 via cif-deposit CGI script.	4072338.cif