Crystallography Open Database

Information card for entry 4500436

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Coordinates	4500436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 O5 Sr
Calculated formula	C14 H12 O5 Sr
Title of publication	Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates
Authors of publication	Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	1318
a	11.8003 ± 0.0004 Å
b	7.1674 ± 0.0002 Å
c	15.7364 ± 0.0005 Å
α	90°
β	99.998 ± 0.002°
γ	90°
Cell volume	1310.73 ± 0.07 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0856
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1375
Goodness-of-fit parameter for all reflections included in the refinement	1.007
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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