Crystallography Open Database

Information card for entry 4038296

Preview

Coordinates	4038296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 Cl2 Co N2 O3
Calculated formula	C30 H26 Cl2 Co N2 O3
Title of publication	Expanding the Boxmi Ligand Family: Synthesis and Application of New NON and NSN Ligands.
Authors of publication	Blasius, Clemens; Ren, Bing-Tao; Bürgy, David; Liu, Yan-Kai; Li, Bin; Michalsky, Ina; Wadepohl, Hubert; Deng, Qing-Hai; Gade, Lutz H.
Journal of publication	The Journal of organic chemistry
Year of publication	2020
a	7.5248 ± 0.0002 Å
b	9.9876 ± 0.0003 Å
c	34.3832 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2584.06 ± 0.12 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0831
Residual factor for significantly intense reflections	0.046
Weighted residual factors for significantly intense reflections	0.0692
Weighted residual factors for all reflections included in the refinement	0.0743
Goodness-of-fit parameter for all reflections included in the refinement	0.841
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~2,3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
251111 (current)	2020-04-23	cif/ Adding structures of 4038290, 4038291, 4038292, 4038293, 4038294, 4038295, 4038296, 4038297, 4038298 via cif-deposit CGI script.	4038296.cif