Crystallography Open Database

Information card for entry 4121504

Preview

Coordinates	4121504.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Bis-cyclopentadienylruthenium dicarbonyl[C60]fullerene
Formula	C74 H10 O4 Ru2
Calculated formula	C74 H10 O4 Ru2
Title of publication	Preparation and Crystallographic Characterization of C60{η(1)-Ru(CO)2(η(5)-C5H5)}2: A Locally Crowded Organometallic Fullerene Without the Usual η(2)-Bonding.
Authors of publication	Bowles, Faye L.; Olmstead, Marilyn M.; Balch, Alan L.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	9
Pages of publication	3338 - 3341
a	15.408 ± 0.003 Å
b	13.224 ± 0.003 Å
c	20.014 ± 0.004 Å
α	90°
β	104.28 ± 0.03°
γ	90°
Cell volume	3952 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.1581
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179017 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/15.	4121504.cif
107824	2014-03-22	cif/ Adding structures of 4121504 via cif-deposit CGI script.	4121504.cif