Crystallography Open Database

Information card for entry 7110488

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Coordinates	7110488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H40 Cu2 P2 S4 Ti2
Calculated formula	C46 H40 Cu2 P2 S4 Ti2
Title of publication	Syntheses of mixed-metal M2Ti2S4 cubane-type sulfido clusters (M = Ru, Rh, Ir, Cu) from a dinuclear organometallic thiotitanate anion
Authors of publication	Amemiya, Takashi; Kuwata, Shigeki; Hidai, Masanobu
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	8
Pages of publication	711
a	25.876 ± 0.003 Å
b	11.435 ± 0.004 Å
c	31.271 ± 0.004 Å
α	90°
β	105.849 ± 0.009°
γ	90°
Cell volume	8901 ± 3 Å³
Cell temperature	296.2 K
Ambient diffraction temperature	296.2 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	0.0403
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0353
Weighted residual factors for all reflections included in the refinement	0.0353
Goodness-of-fit parameter for all reflections included in the refinement	1.377
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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