Crystallography Open Database

Information card for entry 4340254

Preview

Coordinates	4340254.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[W2(hpp)4(μ-CO)2][PF6]
Formula	C30 H48 F6 N12 O2 P W2
Calculated formula	C30 H48 F6 N12 O2 P 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	16.611 ± 0.002 Å
b	9.1254 ± 0.0013 Å
c	24.082 ± 0.003 Å
α	90°
β	92.341 ± 0.002°
γ	90°
Cell volume	3647.4 ± 0.8 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0397
Weighted residual factors for significantly intense reflections	0.0906
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	4340254.cif
118702	2014-06-30	cif/ Adding structures of 4340248, 4340249, 4340250, 4340251, 4340252, 4340253, 4340254, 4340255 via cif-deposit CGI script.	4340254.cif