Crystallography Open Database

Information card for entry 2004887

2004886 << 2004887 >> 2004888

Preview

Coordinates	2004887.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Tris(1,10-phenanthroline)ruthenium(II) dihexafluorophosphate
Formula	C36 H24 F12 N6 P2 Ru
Calculated formula	C36 H24 F12 N6 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-]
Title of publication	Tris(1,10-phenanthroline)ruthenium(II) Bis(hexafluorophosphate)
Authors of publication	Breu, J.; Stoll, A. J.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	5
Pages of publication	1174 - 1177
a	37.086 ± 0.009 Å
b	16.045 ± 0.005 Å
c	12.128 ± 0.005 Å
α	90°
β	101.425 ± 0.015°
γ	90°
Cell volume	7074 ± 4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0715
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for all reflections	0.1142
Weighted residual factors for significantly intense reflections	0.1039
Goodness-of-fit parameter for all reflections	0.914
Goodness-of-fit parameter for significantly intense reflections	1.034
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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