Crystallography Open Database

Information card for entry 4119105

4119104 << 4119105 >> 4119106

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Coordinates	4119105.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 N2 O17 Zn3
Calculated formula	C44 H38 N2 O17 Zn3
Title of publication	Strong H2Binding and Selective Gas Adsorption within the Microporous Coordination Solid Mg3(O2C-C10H6-CO2)3
Authors of publication	Dincǎ, Mircea; Long, Jeffrey R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Journal issue	26
Pages of publication	9376 - 9377
a	10.327 ± 0.003 Å
b	11.067 ± 0.006 Å
c	11.692 ± 0.01 Å
α	112.33 ± 0.05°
β	97.31 ± 0.06°
γ	106.79 ± 0.04°
Cell volume	1140.2 ± 1.4 Å³
Cell temperature	132 ± 2 K
Ambient diffraction temperature	132 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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