Crystallography Open Database

Information card for entry 2108391

Preview

Structure parameters

Formula	C6 H18 I2 O9 Sr
Calculated formula	C6 H18 I2 O9 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	9.1192 ± 0.0003 Å
b	13.0908 ± 0.0005 Å
c	13.5504 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1617.61 ± 0.13 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	0.0519
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.074
Weighted residual factors for all reflections included in the refinement	0.08
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2108391.html