Crystallography Open Database

Information card for entry 4121265

Preview

Coordinates	4121265.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 F4 O14 Ru2
Calculated formula	C40 H40 F4 O14 Ru2
SMILES	[Ru]1234([Ru]([O]=C(O1)c1c(OC)cc(F)cc1)(OC(=[O]2)c1c(OC)cc(F)cc1)([O]=C(O3)c1c(OC)cc(F)cc1)(OC(=[O]4)c1c(OC)cc(F)cc1)[O]1CCCC1)[O]1CCCC1
Title of publication	Selective NO Trapping in the Pores of Chain-Type Complex Assemblies Based on Electronically Activated Paddlewheel-Type [Ru2II,II]/[Rh2II,II] Dimers
Authors of publication	Wataru Kosaka; Kayo Yamagishi; Akihiro Hori; Hiroshi Sato; Ryotaro Matsuda; Susumu Kitagawa; Masaki Takata; Hitoshi Miyasaka
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	18469 - 18480
a	10.6349 ± 0.0019 Å
b	34.971 ± 0.006 Å
c	10.8056 ± 0.0019 Å
α	90°
β	102.586 ± 0.002°
γ	90°
Cell volume	3922.2 ± 1.2 Å³
Cell temperature	103 K
Ambient diffraction temperature	103 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.212
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179014 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/12.	4121265.cif
107455	2014-03-19	cif/ Adding structures of 4121265 via cif-deposit CGI script.	4121265.cif