Crystallography Open Database

Information card for entry 4101541

Preview

Coordinates	4101541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20.4 H6 Cl3 Mn3 N14.4 O13.32
Calculated formula	C20.4 H6 Cl3 Mn3 N14.4 O13.3
Title of publication	Microporous metal-organic frameworks incorporating 1,4-benzeneditetrazolate: syntheses, structures, and hydrogen storage properties.
Authors of publication	Dinca, Mircea; Yu, Anta F; Long, Jeffrey R
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Journal issue	27
Pages of publication	8904 - 8913
a	33.018 ± 0.007 Å
b	33.018 ± 0.007 Å
c	8.603 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	8123 ± 3 Å³
Cell temperature	176 ± 2 K
Ambient diffraction temperature	176 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1107
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.1467
Weighted residual factors for all reflections included in the refinement	0.154
Goodness-of-fit parameter for all reflections included in the refinement	0.745
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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