Crystallography Open Database

Information card for entry 7014476

Preview

Coordinates	7014476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H45 Cl3 F6 N9 O7 P3 Ru S2
Calculated formula	C23 H45 Cl3 F6 N9 O7 P3 Ru S2
Title of publication	Photo-aquation of cis-[RuCl2(mPTA)4](CF3SO3)4 in water (mPTA = N-methyl-1,3,5-triaza-7-phosphaadamantane).
Authors of publication	Girotti, Rugiada; Romerosa, Antonio; Mañas, Sonia; Serrano-Ruiz, Manuel; Perutz, Robin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	4
Pages of publication	828 - 836
a	14.4588 ± 0.0005 Å
b	14.6814 ± 0.0005 Å
c	18.7976 ± 0.0006 Å
α	90°
β	102.063 ± 0.001°
γ	90°
Cell volume	3902.2 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	9
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	0.0481
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.136
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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