Crystallography Open Database

Information card for entry 4083713

Preview

Coordinates	4083713.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H37 O6 P Ru
Calculated formula	C25 H37 O6 P Ru
Title of publication	Ruthenium Hydroxycarbenes as Key Intermediates in Cycloisomerization and Decarbonylative Cyclization of Terminal Alkynals
Authors of publication	Batuecas, María; Esteruelas, Miguel A.; Garc\?ía-Yebra, Cristina; González-Rodr\?íguez, Carlos; Oñate, Enrique; Saá, Carlos
Journal of publication	Organometallics
Year of publication	2014
Pages of publication	140620141406003
a	7.7896 ± 0.001 Å
b	9.1182 ± 0.0012 Å
c	18.376 ± 0.003 Å
α	82.101 ± 0.002°
β	86.235 ± 0.002°
γ	79.204 ± 0.002°
Cell volume	1268.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0458
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
178726 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/37.	4083713.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4083713.cif
117969	2014-06-23	cif/ Adding structures of 4083712, 4083713 via cif-deposit CGI script.	4083713.cif