Crystallography Open Database

Information card for entry 4084491

Preview

Coordinates	4084491.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(η^6^-4H-cyclopenta[def]triphenylene)- (η^5^-pentaamethylcyclopentadienyl)ruthenium(II) hexafluorophosphate
Formula	C30.5 H30 F6 O0.5 P Ru
Calculated formula	C30.5 H30 F6 O0.5 P Ru
Title of publication	Site Selectivity of [RuCp*]+Complexation in Cyclopenta[def]triphenylenes
Authors of publication	Hoggard, Bryce R.; Larsen, Christopher B.; Lucas, Nigel T.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	21
Pages of publication	6200
a	13.8046 ± 0.0003 Å
b	12.8374 ± 0.0003 Å
c	30.8461 ± 0.0007 Å
α	90°
β	99.021 ± 0.002°
γ	90°
Cell volume	5398.8 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.072
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.193
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178733 (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 4/08/44.	4084491.cif
127185	2014-11-12	cif/ Updating files of 4084487, 4084488, 4084489, 4084490, 4084491, 4084492, 4084493, 4084494 Original log message: Adding full bibliography for 4084487--4084494.cif.	4084491.cif
125248	2014-10-10	cif/ Adding structures of 4084487, 4084488, 4084489, 4084490, 4084491, 4084492, 4084493, 4084494 via cif-deposit CGI script.	4084491.cif