Crystallography Open Database

Information card for entry 4309216

Preview

Coordinates	4309216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19.5 H15.5 N2.5 O8.5 Zn2
Calculated formula	C19.5 H12 N2.5 O8.5 Zn2
Title of publication	Microporous Pillared Paddle-Wheel Frameworks Based on Mixed-Ligand Coordination of Zinc Ions
Authors of publication	Bao-Qing Ma; Karen L. Mulfort; Joseph T. Hupp
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4912 - 4914
a	13.4458 ± 0.0017 Å
b	11.5837 ± 0.0015 Å
c	14.0404 ± 0.0018 Å
α	90°
β	105.407 ± 0.002°
γ	90°
Cell volume	2108.2 ± 0.5 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1063
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1793
Weighted residual factors for all reflections included in the refinement	0.2104
Goodness-of-fit parameter for all reflections included in the refinement	1.118
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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