Crystallography Open Database

Information card for entry 1560744

Preview

Coordinates	1560744.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Ba Co O8 P2
Calculated formula	C14 H4 Ba Co O8 P2
Title of publication	Hydrothermal syntheses and characterization of phenyl- and benzyl-phosphonates and ethylene- and propylene-diphosphonates of cobalt(II), ACo(O3PR)2·xH2O and ACo(O3P-R-PO3)·2H2O (A = Ca, Sr, Ba; R = Ph, CH2Ph, -CH2CH2-, -CH2CH2CH2-)
Authors of publication	Elias Jesu Packiam, D.; Vidyasagar, Kanamaluru
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	268
Pages of publication	115 - 122
a	29.9034 ± 0.0014 Å
b	15.9541 ± 0.0006 Å
c	8.2978 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3958.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1003
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1419
Weighted residual factors for all reflections included in the refinement	0.1506
Goodness-of-fit parameter for all reflections included in the refinement	1.305
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
262351 (current)	2021-03-02	cif/ Adding structures of 1560744 via cif-deposit CGI script.	1560744.cif