Crystallography Open Database

Information card for entry 2021396

2021395 << 2021396 >> 2021397

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Structure parameters

Formula	C116 H87 As2 Cu8 Er2 K2 N16 O128 W22
Calculated formula	C116 H87 As2 Cu8 Er2 K2 N16 O128 W22
Title of publication	Synthesis and characterization of self-assembled inorganic‒organic hybrid arsenotungstates
Authors of publication	Parbhakar, Swati; Kaushik, Reetam; Hussain, Firasat
Journal of publication	Acta Crystallographica Section C Structural Chemistry
Year of publication	2018
Journal volume	74
Journal issue	12
a	30.581 ± 0.002 Å
b	14.1638 ± 0.0006 Å
c	48.299 ± 0.003 Å
α	90°
β	108.273 ± 0.007°
γ	90°
Cell volume	19865 ± 2 Å³
Cell temperature	140 ± 20 K
Ambient diffraction temperature	140 ± 20 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.1765
Residual factor for significantly intense reflections	0.0872
Weighted residual factors for significantly intense reflections	0.1424
Weighted residual factors for all reflections included in the refinement	0.1832
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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