Crystallography Open Database

Information card for entry 1506930

Preview

Coordinates	1506930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H54 F12 N10 O4 P2 Ru2
Calculated formula	C59.4 H52.2 F12 N10 O3.7 P2 Ru2
Title of publication	A new class of near-infrared electrochromic oxamide-based dinuclear ruthenium complexes.
Authors of publication	Rastegar, Majid F.; Todd, Erin K.; Tang, Hongding; Wang, Zhi Yuan
Journal of publication	Organic letters
Year of publication	2004
Journal volume	6
Journal issue	24
Pages of publication	4519 - 4522
a	11.413 ± 0.003 Å
b	12.631 ± 0.003 Å
c	22.655 ± 0.005 Å
α	90°
β	95.192 ± 0.004°
γ	90°
Cell volume	3252.5 ± 1.4 Å³
Cell temperature	207 ± 2 K
Ambient diffraction temperature	207 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0672
Weighted residual factors for significantly intense reflections	0.1482
Weighted residual factors for all reflections included in the refinement	0.1559
Goodness-of-fit parameter for all reflections included in the refinement	1.208
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1506930.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1506930.cif
51552	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506930 via cif-deposit CGI script.	1506930.cif