Crystallography Open Database

Information card for entry 4347586

Preview

Coordinates	4347586.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	pvib192B
Formula	C20 H45 Cl2 Co N P2
Calculated formula	C20 H45 Cl2 Co N P2
SMILES	[Co]12(Cl)([P](CC[NH]1CC[P]2(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)Cl
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	7.0747 ± 0.0002 Å
b	14.7836 ± 0.0005 Å
c	12.4276 ± 0.0004 Å
α	90°
β	91.112 ± 0.002°
γ	90°
Cell volume	1299.55 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.051
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
232391 (current)	2019-11-23	cif/ Adding structures of 4347586 via cif-deposit CGI script.	4347586.cif