Crystallography Open Database

Information card for entry 7244629

Preview

Coordinates	7244629.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis[Diaqua(/u-/k^2,1^-3,5-dinitrobenzoate)bis(/u^2^-/k^1,1^-3,5-dinitrobenzoate))cobalt(II)]cobalt(II) acetone tetrasolvate
Formula	C66 H74 Co3 N12 O48
Calculated formula	C66 H74 Co3 N12 O48
Title of publication	Influence of the Lewis basicity hardness of crystallization solvents on the coordination sphere of the complex [Co(3,5-dinitrobenzoate-O,O’)2]: Crystallographic and Theoretical Analysis
Authors of publication	Fonseca, Daniela; Perez, Adres Felipe; Cobo Domingo, Justo; Zapata Rivera, Jhon Enrique; Hurtado Belalcazar, John; Macías, Mario A.
Journal of publication	CrystEngComm
Year of publication	2022
a	12.7882 ± 0.001 Å
b	13.2551 ± 0.001 Å
c	14.4372 ± 0.0011 Å
α	67.94 ± 0.002°
β	79.147 ± 0.003°
γ	69.028 ± 0.003°
Cell volume	2113.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0988
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
273758 (current)	2022-03-18	cif/ Adding structures of 7244629, 7244630, 7244631 via cif-deposit CGI script.	7244629.cif