Crystallography Open Database

Information card for entry 2243900

Preview

Coordinates	2243900.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[diaqua{μ~6~-2-[bis(carboxylatomethyl)amino]terephthalato}dicobalt(II)] 1.6-hydrate]
Formula	C12 H14.2 Co2 N O11.6
Calculated formula	C12 H11 Co2 N O11.6
Title of publication	Synthesis, crystal structure and magnetic properties of poly[[diaqua{μ~6~-2-[bis(carboxylatomethyl)amino]terephthalato}dicobalt(II)] 1.6-hydrate]
Authors of publication	Ma, Jie; Zhang, Wen-Zhi; Liu, Yong; Yi, Wen-Tao
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	9
a	9.0064 ± 0.0009 Å
b	9.234 ± 0.0008 Å
c	9.8426 ± 0.0009 Å
α	93.859 ± 0.003°
β	105.571 ± 0.004°
γ	99.483 ± 0.005°
Cell volume	772.37 ± 0.13 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.0432
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0839
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
268121 (current)	2021-08-18	cif/ Adding structures of 2243900 via cif-deposit CGI script.	2243900.cif