Crystallography Open Database

Information card for entry 1545284

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Structure parameters

Chemical name	Bis( 2-1,3-diethyl-2-thiobarbiturato O,O')-bis(1,3-diethyl-2-thiobarbiturato O)- tetra(butan-1-ol)-di-cobalt(II)
Formula	C48 H84 Co2 N8 O12 S4
Calculated formula	C48 H84 Co2 N8 O12 S4
Title of publication	Structure of Tetrakis((1,3-Diethyl-2-Thiobarbiturato)(Butanol-1))dicobalt(II)
Authors of publication	N.N. Golovnev; M.S. Molokeev; A.I. Smolentsev; M.K. Lesnikov
Journal of publication	Russian Journal of Coordination Chemistry
Year of publication	2017
Journal volume	43
Journal issue	2
Pages of publication	82 - 85
a	10.7185 ± 0.0005 Å
b	21.9851 ± 0.0011 Å
c	12.7235 ± 0.0007 Å
α	90°
β	92.196 ± 0.002°
γ	90°
Cell volume	2996.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1061
Residual factor for significantly intense reflections	0.0948
Weighted residual factors for significantly intense reflections	0.2119
Weighted residual factors for all reflections included in the refinement	0.2158
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1545284.cif
192229	2017-02-17	cif/ Adding structures of 1545284 via cif-deposit CGI script.	1545284.cif