Crystallography Open Database

Information card for entry 4348786

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Coordinates	4348786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H29 F12 N7 O2 P2 Ru
Calculated formula	C38 H29 F12 N7 O2 P2 Ru
Title of publication	Four-Electron Reduction of a New Ruthenium Dicarbonyl Complex Having Two NAD Model Ligands through Decarboxylation in Water.
Authors of publication	Fukushima, Takashi; Ghosh, Debashis; Kobayashi, Katsuaki; Ohtsu, Hideki; Kitagawa, Susumu; Tanaka, Koji
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	22
Pages of publication	11613 - 11616
a	10.4683 ± 0.0007 Å
b	10.9046 ± 0.0005 Å
c	17.1266 ± 0.0015 Å
α	86.154 ± 0.011°
β	86.291 ± 0.011°
γ	78.645 ± 0.009°
Cell volume	1909.8 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 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	0.0606
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
233338 (current)	2019-11-23	cif/ Adding structures of 4348786 via cif-deposit CGI script.	4348786.cif