Crystallography Open Database

Information card for entry 4323326

Preview

Coordinates	4323326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H62 N10 Ta2
Calculated formula	C72 H54 N10 Ta2
Title of publication	Cleavage of Formamidinate Ligands on a TaTa Double Bond: Formation of HxCNAryl (x= 0 and 1) and Arylimido-Bridged Complexes
Authors of publication	F. Albert Cotton; Lee M. Daniels; Carlos A. Murillo; Xiaoping Wang
Journal of publication	Inorganic Chemistry
Year of publication	1997
Journal volume	36
Pages of publication	896 - 901
a	19.437 ± 0.002 Å
b	15.587 ± 0.001 Å
c	20.401 ± 0.001 Å
α	90°
β	97.84 ± 0.006°
γ	90°
Cell volume	6123 ± 0.8 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0706
Residual factor for significantly intense reflections	0.0571
Weighted residual factors for all reflections	0.1464
Weighted residual factors for significantly intense reflections	0.1366
Goodness-of-fit parameter for all reflections	1.125
Goodness-of-fit parameter for significantly intense reflections	1.161
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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