Crystallography Open Database

Information card for entry 4311679

Preview

Coordinates	4311679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H52 O10 Ru2
Calculated formula	C68 H52 O10 Ru2
Title of publication	Neutral Paddlewheel Diruthenium Complexes with Tetracarboxylates of Large π-Conjugated Substituents: Facile One-Pot Synthesis, Crystal Structures, and Electrochemical Studies
Authors of publication	Shuhei Furukawa; Susumu Kitagawa
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	6464 - 6472
a	10.336 ± 0.003 Å
b	22.802 ± 0.007 Å
c	22.722 ± 0.007 Å
α	90°
β	94.586 ± 0.005°
γ	90°
Cell volume	5338 ± 3 Å³
Cell temperature	223.2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	0.694
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4311679.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4311679.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4311679.cif
3178	2010-11-13	../uploads/cif-deposit/cod/cif Adding structures of 4311679 via cif-deposit CGI script.	4311679.cif