Crystallography Open Database

Information card for entry 1560742

Preview

Coordinates	1560742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H14 Ba Co O8 P2
Calculated formula	C12 H12 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	8.8912 ± 0.0011 Å
b	13.8502 ± 0.0016 Å
c	14.233 ± 0.002 Å
α	91.703 ± 0.007°
β	93.394 ± 0.007°
γ	90.035 ± 0.007°
Cell volume	1748.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0705
Weighted residual factors for significantly intense reflections	0.1855
Weighted residual factors for all reflections included in the refinement	0.2103
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
262349 (current)	2021-03-02	cif/ Adding structures of 1560742 via cif-deposit CGI script.	1560742.cif