Crystallography Open Database

Information card for entry 4350789

Preview

Coordinates	4350789.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(μ3-Hydroxo)-(μ2-hydroxo)-tris(μ2-4-(phe?xy)phenylboronato) -bis(μ2-oxo)-tris(η5-pentamethyl-cyclopentadienyl)-tri-tantalum acetone solvate
Formula	C69 H80 B3 O14 Ta3
Calculated formula	C99 H123 B3 O15 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	12.3989 ± 0.0012 Å
b	12.527 ± 0.0012 Å
c	22.486 ± 0.002 Å
α	78.317 ± 0.001°
β	76.609 ± 0.001°
γ	77.798 ± 0.001°
Cell volume	3277.3 ± 0.5 Å³
Ambient diffraction temperature	200 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	0.0303
Weighted residual factors for significantly intense reflections	0.0303
Diffraction radiation probe	x-ray
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4350789.html