Crystallography Open Database

Information card for entry 7027346

Preview

Coordinates	7027346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C121.5 H129 F24 N12 O10.5 P4 Ru2
Calculated formula	C121.5 H129 F24 N12 O10.5 P4 Ru2
Title of publication	A singly stranded, helical di-ruthenium(II) complex of a novel 6,6-ethynyl-linked bis(terpyridine) ligand. Distortion of the ethyne linkage and inversion of helicity
Authors of publication	Chamchoumis, Charles M.; Potvin, Pierre G.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	9
Pages of publication	1373
a	25.695 ± 0.0007 Å
b	14.079 ± 0.0004 Å
c	35.418 ± 0.0009 Å
α	90°
β	100.37 ± 0.002°
γ	90°
Cell volume	12603.5 ± 0.6 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
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	0.0834
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1652
Weighted residual factors for all reflections included in the refinement	0.185
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7027346.cif
95300	2014-01-28	cif/ Adding structures of 7027346 via cif-deposit CGI script.	7027346.cif