Crystallography Open Database

Information card for entry 4060306

Preview

Coordinates	4060306.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H56 O2 S2 Y4
Calculated formula	C48 H56 O2 S2 Y4
SMILES	[cH]12[cH]3[cH]4[cH]5[cH]1[Y]167892345([cH]2[cH]1[cH]6[cH]7[cH]82)[S]([Y]12345678([O]%10CCCC%10)([cH]%10[cH]1[cH]2[cH]3[cH]4%10)[cH]1[cH]8[cH]7[cH]6[cH]51)[Y]12345678([cH]%10[cH]1[cH]2[cH]3[cH]4%10)([cH]1[cH]5[cH]6[cH]7[cH]81)[S]9[Y]12345678([O]9CCCC9)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
Title of publication	Trapping Unstable Terminal Ta-O Multiple Bonds of Monocyclopentadienyl Tantalum Complexes with a Lewis Acid
Authors of publication	Sanchez-Nieves, J.; Frutos, L. M.; Royo, P.; Castano, O.; Herdtweck, E.
Journal of publication	Organometallics
Year of publication	2005
a	11.064 ± 0.002 Å
b	19.121 ± 0.004 Å
c	11.45 ± 0.002 Å
α	90°
β	101.57 ± 0.004°
γ	90°
Cell volume	2373.1 ± 0.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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