Crystallography Open Database

Information card for entry 4121272

Preview

Coordinates	4121272.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Ru2(4-Cl-2-OMe-PhCO2)4(phz)]2(CO2)
Formula	C46 H32 Cl4 N2 O16 Ru2
Calculated formula	C46 H32 Cl4 N2 O16 Ru2
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	9.7304 ± 0.0003 Å
b	11.9815 ± 0.0003 Å
c	10.6288 ± 0.0004 Å
α	85.399 ± 0.004°
β	101.235 ± 0.006°
γ	83.334 ± 0.004°
Cell volume	1200.45 ± 0.07 Å³
Cell temperature	195 ± 1 K
Ambient diffraction temperature	195 ± 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	0.00608
RFsqd	0.00608
Residual factor R(I) for significantly intense reflections	0.01618
Goodness-of-fit parameter for all reflections	6.9158
Method of determination	powder diffraction
Diffraction radiation wavelength	0.79933 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.	4121272.cif
107462	2014-03-19	cif/ Adding structures of 4121272 via cif-deposit CGI script.	4121272.cif