Crystallography Open Database

Information card for entry 4083712

Preview

Coordinates	4083712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H38 B F4 O6 P Ru
Calculated formula	C25 H38 B F4 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	13.6405 ± 0.0011 Å
b	8.6495 ± 0.0007 Å
c	24.464 ± 0.002 Å
α	90°
β	98.134 ± 0.001°
γ	90°
Cell volume	2857.3 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1797
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1693
Weighted residual factors for all reflections included in the refinement	0.2083
Goodness-of-fit parameter for all reflections included in the refinement	0.982
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.	4083712.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4083712.cif
117969	2014-06-23	cif/ Adding structures of 4083712, 4083713 via cif-deposit CGI script.	4083712.cif