Crystallography Open Database

Information card for entry 1563025

Preview

Coordinates	1563025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H11 Cs O6 P2
Calculated formula	C12 H11 Cs O6 P2
Title of publication	Structural differences of metal biphenylenebisphosphonate with change in the alkali metal
Authors of publication	Kinnibrugh, Tiffany L.; Garcia, Nancy; Clearfield, Abraham
Journal of publication	Journal of Solid State Chemistry
Year of publication	2012
Journal volume	187
Pages of publication	149 - 158
a	6.1734 ± 0.0004 Å
b	7.5322 ± 0.0005 Å
c	15.3998 ± 0.001 Å
α	102.219 ± 0.0011°
β	94.283 ± 0.001°
γ	94.305 ± 0.001°
Cell volume	694.86 ± 0.08 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0317
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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