Crystallography Open Database

Information card for entry 2108390

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Structure parameters

Formula	C36 H86 I8 O43 Sr4
Calculated formula	C36 H86 I8 O43 Sr4
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	12.3717 ± 0.0002 Å
b	17.4352 ± 0.0003 Å
c	17.6607 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3809.47 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0826
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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