Crystallography Open Database

Information card for entry 4340251

Preview

Coordinates	4340251.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[W2(hpp)4][TFPB]2
Chemical name	Bis(tetra(3,5-bis(trifluoromethyl)phenyl)borate)[W2(hpp)4]
Formula	C92 H72 B2 F48 N12 W2
Calculated formula	C92 H72 B2 F48 N12 W2
Title of publication	Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds.
Authors of publication	Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	1
Pages of publication	201 - 213
a	13.2005 ± 0.0017 Å
b	14.863 ± 0.002 Å
c	26.035 ± 0.003 Å
α	87.365 ± 0.002°
β	88.944 ± 0.002°
γ	76.617 ± 0.002°
Cell volume	4963.9 ± 1.1 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0409
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.1054
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179505 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/02.	4340251.cif
118702	2014-06-30	cif/ Adding structures of 4340248, 4340249, 4340250, 4340251, 4340252, 4340253, 4340254, 4340255 via cif-deposit CGI script.	4340251.cif