Crystallography Open Database

Information card for entry 4088766

Preview

Coordinates	4088766.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H53 Cl5 P2 Ta2
Calculated formula	C40 H53 Cl5 P2 Ta2
SMILES	[Ta]1234([Cl][Ta]5678(Cl)(Cl)([P](C)(C)c9ccccc9)[C]2(=[C]36([C]47([C]18=[CH]5C)CC)CC)CC)(Cl)(Cl)[P](C)(C)c1ccccc1.c1ccccc1.c1ccccc1
Title of publication	Synthesis and Reactions of Ditantalum—Allyl Complexes Derived from Intramolecular C‒H Bond Activation of the Methylene of the Ethyl Group Bound to Ditantallacyclopentadiene
Authors of publication	Yamamoto, Keishi; Nagae, Haruki; Tsurugi, Hayato; Mashima, Kazushi
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	14
Pages of publication	2384
a	10.92 ± 0.006 Å
b	10.937 ± 0.006 Å
c	18.86 ± 0.012 Å
α	82.894 ± 0.015°
β	83.623 ± 0.018°
γ	75.097 ± 0.013°
Cell volume	2153 ± 2 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 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 all reflections	0.0619
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1284
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237812 (current)	2019-11-24	cif/ Adding structures of 4088766, 4088767, 4088768, 4088769 via cif-deposit CGI script.	4088766.cif