Crystallography Open Database

Information card for entry 4332560

Preview

Coordinates	4332560.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(PPh4)3[W(CN)7(O2)]4H2O
Formula	C79 H68 N7 O6 P3 W
Calculated formula	C79 H64 N7 O6 P3 W
SMILES	[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[W]1(OO1)(C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.O.O.O.O
Title of publication	[PPh4]3[W(CN)7(O2)]·4H2O as the Representative of the [M(L)7(LL)] Class for Nine-Coordinate Complexes
Authors of publication	Matoga, Dariusz; Szklarzewicz, Janusz; Mikuriya, Masahiro
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	18
Pages of publication	7100 - 7104
a	13.1951 ± 0.0011 Å
b	13.9814 ± 0.0012 Å
c	21.5885 ± 0.0018 Å
α	77.871 ± 0.001°
β	87.181 ± 0.002°
γ	62.977 ± 0.001°
Cell volume	3463.9 ± 0.5 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 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	0.0432
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.0892
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179428 (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 4/33/25.	4332560.cif
98388	2014-01-30	cif/ Adding structures of 4332560 via cif-deposit CGI script.	4332560.cif