Crystallography Open Database

Information card for entry 7000472

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Coordinates	7000472.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C150 H166 N12 O56 Zn12
Calculated formula	C126 H86 N12 O56 Zn12
Title of publication	Large pores generated by the combination of different inorganic units in a zinc hydroxide ethynylene diisophthalate MOF
Authors of publication	Hausdorf, Steffen; Seichter, Wilhelm; Weber, Edwin; Mertens, Florian O. R. L.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	7
Pages of publication	1107 - 1113
a	27.4099 ± 0.0006 Å
b	45.3338 ± 0.0008 Å
c	20.1308 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	25014.4 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0986
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1975
Weighted residual factors for all reflections included in the refinement	0.2213
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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