Crystallography Open Database

Information card for entry 1571777

Preview

Coordinates	1571777.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[{μ~2~-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^}(μ~2-~4,4'-dipyridylamine-κ^2^<i>N</i>^4^:<i>N</i>^4'^)cobalt(II)] dimethylformamide hemisolvate monohydrate]
Formula	C22.5 H23.5 Co N4.5 O6.5 S
Calculated formula	C22.5 H23.5 Co N4.5 O6.5 S
Title of publication	Poly[[{μ2-5-[(dimethylamino)(thioxo)methoxy]benzene-1,3-dicarboxylato-κ4 O 1,O 1′:O 3,O 3′}(μ2-4,4′-dipyridylamine-κ2 N 4:N 4′)cobalt(II)] dimethylformamide hemisolvate monohydrate]
Authors of publication	Qin, Hui-Yu; Zhang, Bing-Guang; Sun, Qiao-Zhen
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	6
a	11.2451 ± 0.0014 Å
b	14.4734 ± 0.0017 Å
c	15.232 ± 0.002 Å
α	90°
β	103.485 ± 0.004°
γ	90°
Cell volume	2410.7 ± 0.5 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0898
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.129
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
292201 (current)	2024-06-05	cif/ Adding structures of 1571777 via cif-deposit CGI script.	1571777.cif