Crystallography Open Database

Information card for entry 4116311

Preview

Coordinates	4116311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H43 F6 P3 W
Calculated formula	C36 H39 F6 P3 W
Title of publication	Stable Paramagnetic Half-Sandwich Mo(V) and W(V) Polyhydride Complexes. Structural, Spectroscopic, Electrochemical, Theoretical, and Decomposition Mechanism Studies of [Cp*MH3(dppe)]+ (M = Mo, W)
Authors of publication	Brett Pleune; Dolores Morales; Rita Meunier-Prest; Philippe Richard; Edmond Collange; James C. Fettinger; Rinaldo Poli
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	2209 - 2225
a	14.4683 ± 0.0015 Å
b	16.4788 ± 0.0015 Å
c	15.0809 ± 0.0015 Å
α	90°
β	100.14 ± 0.008°
γ	90°
Cell volume	3539.4 ± 0.6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1265
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178934 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/63.	4116311.cif
70923	2013-01-12	cif/ Adding structures of 4116311 via cif-deposit CGI script.	4116311.cif