Crystallography Open Database

Information card for entry 4337365

Preview

Coordinates	4337365.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H28 F8 N2 O2 Pa
Calculated formula	C8 H24 F8 N2 O2 Pa
SMILES	C[N+](C)(C)C.F[Pa](F)(F)([F-])(F)(F)(F)[F-].O.C[N+](C)(C)C.O
Title of publication	Structural and spectroscopic studies of fluoroprotactinates.
Authors of publication	De Sio, Stéphanie M; Wilson, Richard E.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	3
Pages of publication	1750 - 1755
a	15.1001 ± 0.0005 Å
b	9.0563 ± 0.0003 Å
c	12.9862 ± 0.0004 Å
α	90°
β	104.92°
γ	90°
Cell volume	1716 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0198
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0439
Weighted residual factors for all reflections included in the refinement	0.0443
Goodness-of-fit parameter for all reflections included in the refinement	1.236
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
179476 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/73.	4337365.cif
106302	2014-03-15	cif/ Adding structures of 4337360, 4337361, 4337362, 4337363, 4337364, 4337365, 4337366 via cif-deposit CGI script.	4337365.cif