Crystallography Open Database

Information card for entry 4119238

4119237 << 4119238 >> 4119239

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Coordinates	4119238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H14 O8 P2 Zn
Calculated formula	C4 H14 O8 P2 Zn
Title of publication	MOFs Under Pressure: The Reversible Compression of a Single Crystal
Authors of publication	Kevin J. Gagnon; Christine M. Beavers; Abraham Clearfield
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	1252 - 1255
a	17.1996 ± 0.0018 Å
b	8.139 ± 0.002 Å
c	7.4651 ± 0.0006 Å
α	90°
β	122.431 ± 0.006°
γ	90°
Cell volume	882 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.137
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.6048 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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