Crystallography Open Database

Information card for entry 4114404

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Coordinates	4114404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C83 H111 Li O8 Ta2
Calculated formula	C83 H97 Li O8 Ta2
Title of publication	Aryl-Oxygen Bond Cleavage by a Trihydride-Bridging Ditantalum Complex
Authors of publication	Hiroyuki Kawaguchi; Tsukasa Matsuo
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	14254 - 14255
a	12.48 ± 0.003 Å
b	12.884 ± 0.003 Å
c	24.519 ± 0.006 Å
α	81.175 ± 0.005°
β	82.109 ± 0.006°
γ	86.36 ± 0.005°
Cell volume	3855.3 ± 1.6 Å³
Cell temperature	293.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.032
Weighted residual factors for all reflections included in the refinement	0.075
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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