Crystallography Open Database

Information card for entry 7042255

Preview

Coordinates	7042255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H24 B F10 N6 O P Ru
Calculated formula	C33 H24 B F10 N6 O P Ru
SMILES	c1cccc2c3ccc4c(Cc5c(cccc5)N4)[n]3[Ru]34(C#[O])([n]5c(c6cccc(c7cccc[n]47)[n]36)cccc5)[n]12.[P](F)(F)(F)(F)(F)[F-].[B](F)(F)(F)[F-]
Title of publication	Base assisted C-C coupling between carbonyl and polypyridyl ligands in a Ru-NADH-type carbonyl complex.
Authors of publication	Ghosh, Debashis; Fukushima, Takashi; Kobayashi, Katsuaki; Sen, Susan; Kitagawa, Susumu; Kato, Tatsuhisa; Tanaka, Koji
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	13
Pages of publication	4373 - 4381
a	16.9299 ± 0.0004 Å
b	16.5148 ± 0.0003 Å
c	11.382 ± 0.0003 Å
α	90°
β	100.74 ± 0.002°
γ	90°
Cell volume	3126.59 ± 0.13 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0632
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1592
Weighted residual factors for all reflections included in the refinement	0.1624
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
195080 (current)	2017-04-05	cif/ Updating files of 7042254, 7042255, 7042256, 7042257 Original log message: Adding full bibliography for 7042254--7042257.cif.	7042255.cif
192713	2017-03-02	cif/ Adding structures of 7042254, 7042255, 7042256, 7042257 via cif-deposit CGI script.	7042255.cif