Crystallography Open Database

Information card for entry 4335746

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Coordinates	4335746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H27 F12 N5 O P2 Ru S
Calculated formula	C28 H27 F12 N5 O P2 Ru S
Title of publication	Spontaneous Formation in the Dark, and Visible Light-Induced Cleavage, of a Ru-S Bond in Water: A Thermodynamic and Kinetic Study
Authors of publication	Azadeh Bahreman; Bart Limburg; Maxime A. Siegler; Elisabeth Bouwman; Sylvestre Bonnet
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	9456 - 9469
a	24.06815 ± 0.00017 Å
b	10.86063 ± 0.00008 Å
c	24.69614 ± 0.00019 Å
α	90°
β	93.6407 ± 0.0007°
γ	90°
Cell volume	6442.43 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
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	0.0226
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for significantly intense reflections	0.0517
Weighted residual factors for all reflections included in the refinement	0.0525
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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