Crystallography Open Database

Information card for entry 2204985

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Structure parameters

Chemical name	Acetonitrile(1,10-phenanthroline )(2,2':6',2''-terpyridine)ruthenium(II) hexafluorophosphate
Formula	C29 H22 F12 N6 P2 Ru
Calculated formula	C29 H22 F12 N6 P2 Ru
SMILES	[Ru]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Acetonitrile(1,10-phenanthroline)(2,2':6',2''-terpyridine)ruthenium(II) bis(hexafluorophosphate)
Authors of publication	Naokazu Yoshikawa; Akio Ichimura; Nobuko Kanehisa; Yasushi Kai; Hiroshi Takashima; Keiichi Tsukahara
Journal of publication	Acta Crystallographica Section E
Year of publication	2005
Journal volume	61
Journal issue	1
Pages of publication	m55 - m56
a	8.7861 ± 0.0003 Å
b	10.359 ± 0.0009 Å
c	17.9636 ± 0.0007 Å
α	99.192 ± 0.007°
β	90.389 ± 0.002°
γ	105.774 ± 0.003°
Cell volume	1551.01 ± 0.16 Å³
Cell temperature	296.2 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 significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.1719
Goodness-of-fit parameter for all reflections included in the refinement	1.29
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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