Crystallography Open Database

Information card for entry 4072997

Preview

Coordinates	4072997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H74 Cl2 F3 P2 Ru
Calculated formula	C45 H74 Cl2 F3 P2 Ru
Title of publication	Synthesis, Structure, and Reactivity of Four-, Five-, and Six-Coordinate Ruthenium Carbyne Complexes
Authors of publication	Caskey, Stephen R.; Stewart, Michael H.; Ahn, Yi Joon; Johnson, Marc J. A.; Rowsell, Jesse L. C.; Kampf, Jeff W.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	8
Pages of publication	1912
a	9.5265 ± 0.0018 Å
b	23.609 ± 0.005 Å
c	11.124 ± 0.002 Å
α	90°
β	113.372 ± 0.012°
γ	90°
Cell volume	2296.6 ± 0.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0953
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.0969
Weighted residual factors for all reflections included in the refinement	0.1109
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178618 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/29.	4072997.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072997.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072997.cif
46113	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072994, 4072995, 4072996, 4072997 via cif-deposit CGI script.	4072997.cif