Crystallography Open Database

Information card for entry 4347584

Preview

Coordinates	4347584.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BSA-53
Formula	C20 H40 Cl Co F6 N P3
Calculated formula	C20 H40 Cl Co F6 N P3
SMILES	C1=C[P](C(C)(C)C)(C(C)(C)C)[Co]2(N1C=C[P]2(C(C)(C)C)C(C)(C)C)Cl.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Square-Planar Cobalt(III) Pincer Complex.
Authors of publication	Lagaditis, Paraskevi O.; Schluschaß, Bastian; Demeshko, Serhiy; Würtele, Christian; Schneider, Sven
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	9
Pages of publication	4529 - 4536
a	19.1704 ± 0.0008 Å
b	19.1269 ± 0.0008 Å
c	14.7424 ± 0.0006 Å
α	90°
β	94.854 ± 0.002°
γ	90°
Cell volume	5386.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0603
Weighted residual factors for all reflections included in the refinement	0.0671
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
232389 (current)	2019-11-23	cif/ Adding structures of 4347584 via cif-deposit CGI script.	4347584.cif