Crystallography Open Database

Information card for entry 1563026

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Coordinates	1563026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H5 Na O3 P
Calculated formula	C6 H5 Na O3 P
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	28.28 ± 0.02 Å
b	7.547 ± 0.006 Å
c	6.39 ± 0.006 Å
α	90°
β	101.26 ± 0.02°
γ	90°
Cell volume	1337.6 ± 1.9 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0453
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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