Crystallography Open Database

Information card for entry 4121267

Preview

Coordinates	4121267.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H40 Cl4 O14 Rh2
Calculated formula	C40 H40 Cl4 O14 Rh2
SMILES	C1(c2c(cc(cc2)Cl)OC)=[O][Rh]234([O]=C(c5ccc(cc5OC)Cl)O[Rh]4([O]=C(c4c(cc(cc4)Cl)OC)O2)(O1)([O]=C(O3)c1c(OC)cc(cc1)Cl)[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	12.686 ± 0.003 Å
b	12.859 ± 0.003 Å
c	12.828 ± 0.003 Å
α	90°
β	92.226 ± 0.008°
γ	90°
Cell volume	2091 ± 0.8 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.7107 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.	4121267.cif
107457	2014-03-19	cif/ Adding structures of 4121267 via cif-deposit CGI script.	4121267.cif