Crystallography Open Database

Information card for entry 7117056

Preview

Coordinates	7117056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H48 Cl8 F8 N4 O18 Ru4
Calculated formula	C74 H36 Cl8 F8 N4 O18 Ru4
Title of publication	A charge-disproportionate ordered state with delta = 0.75 in a chemically sensitive donor/acceptor D^delta^+2A^2delta-^ layered framework
Authors of publication	Hiroki Fukunaga; Takafumi Yoshino; Hajime Sagayama; Jun-ichi Yamaura; Taka-hisa Arima; Wataru Kosaka; Hitoshi Miyasaka
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	7795
a	10.641 ± 0.003 Å
b	14.224 ± 0.004 Å
c	15.449 ± 0.004 Å
α	91.028 ± 0.002°
β	110.013 ± 0.003°
γ	109.772 ± 0.004°
Cell volume	2043.8 ± 1 Å³
Cell temperature	98 K
Ambient diffraction temperature	98 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.061
Residual factor for significantly intense reflections	0.0569
Weighted residual factors for significantly intense reflections	0.1544
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
180284 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/70.	7117056.cif
135382	2015-04-27	cif/ Adding structures of 7117056, 7117057, 7117058 via cif-deposit CGI script.	7117056.cif