Crystallography Open Database

Information card for entry 4121273

Preview

Coordinates	4121273.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ru2(4-Cl-2-OMe-PhCO2)4(phz)] 4(NO)
Formula	C44 H32 Cl4 N6 O16 Ru2
Calculated formula	C44 H32 Cl4 N6 O16 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.[N]=O.[N]=O.[N]=O.[N]=O
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	9.7255 ± 0.0003 Å
b	12.0456 ± 0.0003 Å
c	10.5596 ± 0.0003 Å
α	86.501 ± 0.003°
β	101.224 ± 0.005°
γ	83.605 ± 0.004°
Cell volume	1201.49 ± 0.06 Å³
Cell temperature	121 ± 1 K
Ambient diffraction temperature	121 ± 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	0.00541
RFsqd	0.0054
Residual factor R(I) for significantly intense reflections	0.0154
Goodness-of-fit parameter for all reflections	5.2782
Method of determination	powder diffraction
Diffraction radiation wavelength	0.79873 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.	4121273.cif
107463	2014-03-19	cif/ Adding structures of 4121273 via cif-deposit CGI script.	4121273.cif