Crystallography Open Database

Information card for entry 4515120

Preview

Coordinates	4515120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6.25 H6 O12.5 Zn3
Calculated formula	C6.25 H6 O12.5 Zn3
Title of publication	Exploring Host-Guest Interactions in the α-Zn<sub>3</sub>(HCOO)<sub>6</sub> Metal-Organic Framework.
Authors of publication	Wu, Bowei; Wong, Y. T. Angel; Lucier, Bryan E. G.; Boyle, Paul D.; Huang, Yining
Journal of publication	ACS omega
Year of publication	2019
Journal volume	4
Journal issue	2
Pages of publication	4000 - 4011
a	11.3261 ± 0.0015 Å
b	9.821 ± 0.0014 Å
c	14.4412 ± 0.0019 Å
α	90°
β	91.297 ± 0.005°
γ	90°
Cell volume	1605.9 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0986
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.224
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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