Crystallography Open Database

Information card for entry 4349298

Preview

Coordinates	4349298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H40 Cl8 N2 O12 Ru2
Calculated formula	C47 H38 Cl8 N2 O12 Ru2
Title of publication	Regulation of NO Uptake in Flexible Ru Dimer Chain Compounds with Highly Electron Donating Dopants.
Authors of publication	Zhang, Jun; Kosaka, Wataru; Fukunaga, Hiroki; Kitagawa, Susumu; Takata, Masaki; Miyasaka, Hitoshi
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	22
Pages of publication	12085 - 12092
a	9.723 ± 0.003 Å
b	11.564 ± 0.004 Å
c	12.965 ± 0.004 Å
α	81.499 ± 0.011°
β	77.99 ± 0.009°
γ	84.219 ± 0.011°
Cell volume	1406.5 ± 0.8 Å³
Cell temperature	112 K
Ambient diffraction temperature	112 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	0.1087
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1851
Weighted residual factors for all reflections included in the refinement	0.2112
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
233834 (current)	2019-11-23	cif/ Adding structures of 4349296, 4349297, 4349298, 4349299, 4349300, 4349301, 4349302, 4349303, 4349304, 4349305, 4349306 via cif-deposit CGI script.	4349298.cif