Crystallography Open Database

Information card for entry 7231521

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Coordinates	7231521.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H15 Ba O13 P3
Calculated formula	C6 H15 Ba O13 P3
Title of publication	Nucleation and crystal growth of barium sulfate: inhibition in the presence of rigid and flexible triphosphonate additives
Authors of publication	Athanasopoulos, Evangelos D.; Armakola, Eirini; Koutsoukos, Petros G.; Demadis, Konstantinos D.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	41
Pages of publication	6589
a	7.2684 ± 0.0003 Å
b	11.2015 ± 0.0005 Å
c	11.2573 ± 0.0005 Å
α	65.725 ± 0.001°
β	73.534 ± 0.001°
γ	72.674 ± 0.001°
Cell volume	783.82 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.021
Residual factor for significantly intense reflections	0.0199
Weighted residual factors for significantly intense reflections	0.0513
Weighted residual factors for all reflections included in the refinement	0.0517
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	No
Has F_obs	No

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