Crystallography Open Database

Information card for entry 4088769

Preview

Coordinates	4088769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H26 Cl5 N Ta2
Calculated formula	C19 H26 Cl5 N Ta2
SMILES	[Ta]1234(Cl)(Cl)[Cl][Ta]56789(Cl)(Cl)[n]%10c([C@@H]9C[C@@H]([C]48=[C]37([C]26(=[C]15CC)CC)CC)C)cccc%10.[Ta]1234(Cl)(Cl)[Cl][Ta]56789(Cl)(Cl)[n]%10c([C@H]9C[C@H]([C]48=[C]37([C]26(=[C]15CC)CC)CC)C)cccc%10
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	14.511 ± 0.005 Å
b	22.423 ± 0.008 Å
c	14.415 ± 0.005 Å
α	90°
β	96.026 ± 0.005°
γ	90°
Cell volume	4664 ± 3 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0785
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	1.164
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.	4088769.cif