Crystallography Open Database

Information card for entry 4330857

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Coordinates	4330857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H46 Li2 O4 P2 S4
Calculated formula	C30 H46 Li2 O4 P2 S4
Title of publication	Preparations of Metal Trichalcogenophosphonates from Organophosphonate Esters
Authors of publication	Robert P. Davies; Laura Patel; Andrew J. P. White
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	11594 - 11601
a	10.8127 ± 0.0008 Å
b	12.1431 ± 0.0006 Å
c	13.4353 ± 0.0007 Å
α	88.9 ± 0.004°
β	84.026 ± 0.005°
γ	88.591 ± 0.005°
Cell volume	1753.69 ± 0.18 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.1209
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1731
Weighted residual factors for all reflections included in the refinement	0.1942
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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