Crystallography Open Database

Information card for entry 4314988

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Coordinates	4314988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C126 H144 F18 N6 O30 Ru6 S6
Calculated formula	C125 H144 F15 N6 O27 Ru6 S5
Title of publication	Two-Step Assembly of Multinuclear Metallacycles with Half-Sandwich Ir, Rh, and Ru Fragments for Counteranion Encapsulation
Authors of publication	Guo-Liang Wang; Yue-Jian Lin; Heinz Berke; Guo-Xin Jin
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	2193 - 2201
a	12.6905 ± 0.0013 Å
b	18.6147 ± 0.0019 Å
c	18.9997 ± 0.0019 Å
α	111.839 ± 0.001°
β	107.305 ± 0.001°
γ	100.134 ± 0.001°
Cell volume	3763.8 ± 0.7 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0929
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1914
Weighted residual factors for all reflections included in the refinement	0.2098
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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