Crystallography Open Database

Information card for entry 7225021

Preview

Coordinates	7225021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H47 Br6 Co N13 Zn2
Calculated formula	C29 H47 Br6 Co N13 Zn2
SMILES	[Co]123(Br)[N](Cn4[n]1c(cc4C)C)(Cn1[n]2c(cc1C)C)Cn1[n]3c(cc1C)C.[Zn](Br)(Br)([n]1[nH]c(cc1C)C)[N]12CN3CN(C1)C[N]([Zn](Br)(Br)Br)(C2)C3
Title of publication	A family of complexes with N scorpionate- type and other N-donor ligands obtained in situ from pyrazole derivative and zerovalent cobalt. Physicochemical and cytotoxicity studies.
Authors of publication	Adach, Anna; Daszkiewicz, Marek; Tyszka-Czochara, Małgorzata
Journal of publication	RSC Adv.
Year of publication	2016
a	8.7475 ± 0.0003 Å
b	26.5384 ± 0.0011 Å
c	18.0526 ± 0.0008 Å
α	90°
β	93.994 ± 0.004°
γ	90°
Cell volume	4180.6 ± 0.3 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1105
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.192
Weighted residual factors for all reflections included in the refinement	0.2102
Goodness-of-fit parameter for all reflections included in the refinement	0.939
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
182377 (current)	2016-04-28	cif/ Adding structures of 7225020, 7225021, 7225022 via cif-deposit CGI script.	7225021.cif