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

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4309216.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309216.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309216.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309216.cif