Crystallography Open Database

Information card for entry 4132637

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Coordinates	4132637.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	MOF-1004
Formula	C132 H64 O27 Zr6
Calculated formula	C132 H64 O32 Zr6
Title of publication	Impact of Disordered Guest-Framework Interactions on the Crystallography of Metal-Organic Frameworks.
Authors of publication	Lee, Seungkyu; Bürgi, Hans-Beat; Alshmimri, Sultan A.; Yaghi, Omar M.
Journal of publication	Journal of the American Chemical Society
Year of publication	2018
Journal volume	140
Journal issue	28
Pages of publication	8958 - 8964
a	41.367 ± 0.005 Å
b	41.367 ± 0.005 Å
c	41.367 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	70788 ± 15 Å³
Cell temperature	290 K
Ambient diffraction temperature	290.15 K
Number of distinct elements	4
Space group number	223
Hermann-Mauguin space group symbol	P m -3 n
Hall space group symbol	-P 4n 2 3
Residual factor for all reflections	0.0476
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1155
Weighted residual factors for all reflections included in the refinement	0.124
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	1.1271 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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