Crystallography Open Database

Information card for entry 4347589

Preview

Coordinates	4347589.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BS-A_075
Formula	C20 H41 B Cl Co F4 N P2
Calculated formula	C20 H41 B Cl Co F4 N P2
SMILES	C1=C[P](C(C)(C)C)(C(C)(C)C)[Co]2([N]1=CC[P]2(C(C)(C)C)C(C)(C)C)Cl.[B](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	13.8511 ± 0.0006 Å
b	13.8909 ± 0.0007 Å
c	16.2469 ± 0.0008 Å
α	113.737 ± 0.002°
β	109.182 ± 0.002°
γ	90.202 ± 0.002°
Cell volume	2669.1 ± 0.2 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1395
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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
232394 (current)	2019-11-23	cif/ Adding structures of 4347589 via cif-deposit CGI script.	4347589.cif