Crystallography Open Database

Information card for entry 4075532

Preview

Coordinates	4075532.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H42 Ru
Calculated formula	C32 H42 Ru
SMILES	[Ru]12345678([c]9([c]%101c(c(c(c([c]2%10[c]13[c]49c(c(c(c1C)C)C)C)C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
Title of publication	Octa- and Nonamethylfluorene and an Electron-Rich Permethylfluorenyl Ruthenocene Derivative
Authors of publication	Bazinet, Patrick; Tupper, Karl A.; Tilley, T. Don
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	18
Pages of publication	4286
a	11.262 ± 0.003 Å
b	31.713 ± 0.01 Å
c	7.774 ± 0.002 Å
α	90°
β	113.492 ± 0.004°
γ	90°
Cell volume	2546.4 ± 1.2 Å³
Cell temperature	127 ± 2 K
Ambient diffraction temperature	127 ± 2 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
178644 (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 4/07/55.	4075532.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075532.cif
49298	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4075532 via cif-deposit CGI script.	4075532.cif