Crystallography Open Database

Information card for entry 4121270

Preview

Coordinates	4121270.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ru2(4-Cl-2-OMe-PhCO2)4(phz)]
Formula	C44 H32 Cl4 N2 O12 Ru2
Calculated formula	C44 H32 Cl4 N2 O12 Ru2
SMILES	C1(=[O][Ru]234[O]=C(c5c(cc(cc5)Cl)OC)O[Ru]4(O1)([O]=C(O3)c1c(OC)cc(cc1)Cl)[O]=C(O2)c1c(OC)cc(cc1)Cl)c1c(cc(cc1)Cl)OC.n1c2ccccc2nc2ccccc12
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	9.8692 ± 0.0004 Å
b	11.0682 ± 0.0003 Å
c	10.7563 ± 0.0004 Å
α	79.836 ± 0.004°
β	106.536 ± 0.005°
γ	86.339 ± 0.005°
Cell volume	1100.55 ± 0.08 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0186
RFsqd	0.01815
Residual factor R(I) for significantly intense reflections	0.04114
Goodness-of-fit parameter for all reflections	4.6158
Method of determination	powder diffraction
Diffraction radiation wavelength	0.79909 Å
Diffraction radiation type	synchrotron
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.	4121270.cif
107460	2014-03-19	cif/ Adding structures of 4121270 via cif-deposit CGI script.	4121270.cif