Crystallography Open Database

Information card for entry 4105902

Preview

Coordinates	4105902.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H32 F16 N4 O8 Ru2
Calculated formula	C54 H32 F16 N4 O8 Ru2
Title of publication	Stepwise Neutral-Ionic Phase Transitions in a Covalently Bonded Donor/Acceptor Chain Compound
Authors of publication	Hitoshi Miyasaka; Natsuko Motokawa; Tamiko Chiyo; Miho Takemura; Masahiro Yamashita; Hajime Sagayama; Taka-hisa Arima
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	5338 - 5345
a	14.76 ± 0.005 Å
b	10.519 ± 0.003 Å
c	17.152 ± 0.006 Å
α	90°
β	97.265 ± 0.005°
γ	90°
Cell volume	2641.6 ± 1.5 Å³
Cell temperature	107.1 K
Ambient diffraction temperature	107.1 K
Number of distinct elements	6
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	0.0527
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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