Crystallography Open Database

Information card for entry 2006181

2006180 << 2006181 >> 2006182

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Coordinates	2006181.cif
Original IUCr paper	HTML

Structure parameters

Formula	C40 H32 F12 N7 O0.5 P2 Ru
Calculated formula	C40 H32 F12 N7 O0.5 P2 Ru
SMILES	[Ru]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.CCOCC
Title of publication	Λ-Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')ruthenium(II) Bis(hexafluorophosphate)‒Acetonitrile‒Diethyl Ether (1/1/0.5)
Authors of publication	Maloney, David J.; MacDonnell, Frederick M.
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	6
Pages of publication	705 - 707
a	25.372 ± 0.001 Å
b	25.372 ± 0.001 Å
c	12.726 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8192.2 ± 1.4 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	7
Space group number	78
Hermann-Mauguin space group symbol	P 43
Hall space group symbol	P 4cw
Residual factor for all reflections	0.01
Residual factor for significantly intense reflections	0.063
Weighted residual factors for all reflections	0.16
Weighted residual factors for significantly intense reflections	0.139
Goodness-of-fit parameter for all reflections	1.04
Goodness-of-fit parameter for significantly intense reflections	1.07
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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