Crystallography Open Database

Information card for entry 4109914

Preview

Coordinates	4109914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H62 B F4 N O Os P2
Calculated formula	C38 H62 B F4 N O Os P2
Title of publication	Understanding the Formation of N-H Tautomers from α-Substituted Pyridines: Tautomerization of 2-Ethylpyridine Promoted by Osmium
Authors of publication	María L. Buil; Miguel A. Esteruelas; Karin Garcés; Montserrat Oliván; Enrique Oñate
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	10998 - 10999
a	23.589 ± 0.002 Å
b	20.399 ± 0.002 Å
c	19.951 ± 0.002 Å
α	90°
β	125.574 ± 0.002°
γ	90°
Cell volume	7808.5 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0688
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.07
Weighted residual factors for all reflections included in the refinement	0.0756
Goodness-of-fit parameter for all reflections included in the refinement	0.82
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
178845 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/99.	4109914.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109914.cif
58692	2012-05-29	cif/ Adding structures of 4109914 via cif-deposit CGI script.	4109914.cif