Crystallography Open Database

Information card for entry 4350791

Preview

Coordinates	4350791.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(μ3-Hydroxo)-(μ2-hydroxo)-tris(μ2-4-(2-phenylethynyl)phenylboronato) -bis(μ2-oxo)-tris(η5-pentamethyl-cyclopentadienyl)-tri-tantalum acetone toluene solvate
Formula	C85.5 H92 B3 O11 Ta3
Calculated formula	C107 H114 B3 O11 Ta3
Title of publication	On the Interaction of Acetone with Electrophilic Metallocavitands Having Extended Cavities
Authors of publication	Christian N. Garon; Maxime Daigle; Isabelle Levesque; Philippe Dufour; Hassan Iden; Christian Tessier; Thierry Maris; Jean-François Morin; Frédéric-Georges Fontaine
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	10384 - 10393
a	12.5477 ± 0.0004 Å
b	31.1331 ± 0.001 Å
c	19.3082 ± 0.0006 Å
α	90°
β	91 ± 0.002°
γ	90°
Cell volume	7541.6 ± 0.4 Å³
Ambient diffraction temperature	100 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
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0311
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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