Crystallography Open Database

Information card for entry 8105659

Preview

Coordinates	8105659.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis [{[(4-fluorophenyl)amino]methyl}(triphenyl)phosphanium] tetrachloro-Cobaltate
Formula	C50 H44 Cl4 Co F2 N2 P2
Calculated formula	C50 H44 Cl4 Co F2 N2 P2
SMILES	[Co](Cl)(Cl)([Cl-])[Cl-].[P+](CNc1ccc(F)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](CNc1ccc(F)cc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Crystal structure of bis[(((4-fluorophenyl)amino)methyl)triphenylphosphonium] tetrachloridocobaltate(II), C50H44Cl4CoF2N2P2
Authors of publication	Kanchanadevi, S.; Fronczek, Frank R.; Arun, V.; Mahalingam, V.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	3
Pages of publication	401 - 403
a	18.4662 ± 0.0006 Å
b	15.2888 ± 0.0005 Å
c	33.2661 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	9391.9 ± 0.5 Å³
Cell temperature	180 ± 0.5 K
Ambient diffraction temperature	180 ± 0.5 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0921
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
276726 (current)	2022-07-07	cif/ Adding structures of 8105659 via cif-deposit CGI script.	8105659.cif