Crystallography Open Database

Information card for entry 4321090

Preview

Coordinates	4321090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H24 Br2 F12 N8 O3 Ru
Calculated formula	C32 H18 F12 N8 Ru
Title of publication	Protonation Studies of Reduced Ruthenium(II) Complexes with Polypyridyl Ligands
Authors of publication	Peter A. Anderson; Robert F. Anderson; Masaoki Furue; Peter C. Junk; F. Richard Keene; Bradley T. Patterson; Brett D. Yeomans
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	2721 - 2728
a	10.0835 ± 0.0014 Å
b	11.359 ± 0.003 Å
c	18.751 ± 0.003 Å
α	92.348 ± 0.015°
β	101.3 ± 0.012°
γ	115.149 ± 0.018°
Cell volume	1887.7 ± 0.7 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.22
Residual factor for significantly intense reflections	0.073
Weighted residual factors for all reflections	0.076
Weighted residual factors for significantly intense reflections	0.072
Goodness-of-fit parameter for all reflections	2.02
Goodness-of-fit parameter for significantly intense reflections	2.875
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	xray_tube
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4321090.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4321090.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4321090.cif
18437	2011-04-29	../uploads/cif-deposit/cod/cif Adding structures of 4321090 via cif-deposit CGI script.	4321090.cif