Crystallography Open Database

Information card for entry 4347585

Preview

Coordinates	4347585.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BS-A114
Formula	C21 H44 Co N O P2
Calculated formula	C21 H44 Co N O P2
SMILES	[Co]12([P](CCN1CC[P]2(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)C#[O]
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	12.1068 ± 0.0009 Å
b	14.3168 ± 0.0011 Å
c	14.3964 ± 0.0011 Å
α	90°
β	104.355 ± 0.002°
γ	90°
Cell volume	2417.4 ± 0.3 Å³
Cell temperature	104 ± 2 K
Ambient diffraction temperature	104 ± 2 K
Number of distinct elements	6
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	0.0731
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
232390 (current)	2019-11-23	cif/ Adding structures of 4347585 via cif-deposit CGI script.	4347585.cif