Crystallography Open Database

Information card for entry 4317259

Preview

Coordinates	4317259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H36 F3 N4 O5.5 Ru2 S
Calculated formula	C37 H35 F3 N4 O5.5 Ru2 S
Title of publication	Organometallic Quinonoid Linkers: A Versatile Tether for the Design of Panchromatic Ruthenium(II) Heteroleptic Complexes
Authors of publication	Aurélie Damas; Barbara Ventura; M. Rosa Axet; Alessandra Degli Esposti; Lise-Marie Chamoreau; Andrea Barbieri; Hani Amouri
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	10762 - 10764
a	14.337 ± 0.002 Å
b	15.2172 ± 0.0011 Å
c	18.279 ± 0.003 Å
α	103.27 ± 0.01°
β	92.249 ± 0.012°
γ	100.276 ± 0.01°
Cell volume	3805.8 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1541
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.2044
Weighted residual factors for all reflections included in the refinement	0.2501
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4317259.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4317259.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317259.cif
10771	2011-02-12	../uploads/cif-deposit/cod/cif Adding structures of 4317259 via cif-deposit CGI script.	4317259.cif