Crystallography Open Database

Information card for entry 2108389

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Structure parameters

Formula	C12 H24 I2 O12 Sr
Calculated formula	C12 H24 I2 O12 Sr
Title of publication	Developing new SrI~2~ and β-<small>D</small>-fructopyranose-based metal‒organic frameworks with nonlinear optical properties
Authors of publication	Marabello, Domenica; Antoniotti, Paola; Benzi, Paola; Cariati, Elena; Lo Presti, Leonardo; Canepa, Carlo
Journal of publication	Acta Crystallographica Section B
Year of publication	2019
Journal volume	75
Journal issue	2
a	7.8592 ± 0.0004 Å
b	12.9355 ± 0.0005 Å
c	9.9504 ± 0.0003 Å
α	90°
β	92.803 ± 0.004°
γ	90°
Cell volume	1010.37 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

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