Crystallography Open Database

Information card for entry 4347591

Preview

Coordinates	4347591.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BS-A-074
Formula	C20 H45 B Cl Co F4 N P2
Calculated formula	C20 H45 B Cl Co F4 N P2
SMILES	C1C[P](C(C)(C)C)(C(C)(C)C)[Co]2([NH]1CC[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	29.0335 ± 0.0009 Å
b	14.0241 ± 0.0004 Å
c	14.3063 ± 0.0005 Å
α	90°
β	112.5 ± 0.002°
γ	90°
Cell volume	5381.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.0444
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0655
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
232396 (current)	2019-11-23	cif/ Adding structures of 4347591 via cif-deposit CGI script.	4347591.cif