Crystallography Open Database

Information card for entry 4101930

4101929 << 4101930 >> 4101931

Preview

Coordinates	4101930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.5 H41.5 N4.5 O12.5 Zn3
Calculated formula	C37.5 H38 N4.5 O12.5 Zn3
Title of publication	Rigid Pillars and Double Walls in a Porous Metal-Organic Framework: Single-Crystal to Single-Crystal, Controlled Uptake and Release of Iodine and Electrical Conductivity
Authors of publication	Ming-Hua Zeng; Qiang-Xin Wang; Yan-Xi Tan; Sheng Hu; Hai-Xia Zhao; La-Sheng Long; Mohamedally Kurmoo
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	2561 - 2563
a	24.8859 ± 0.0014 Å
b	24.8859 ± 0.0014 Å
c	15.1743 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	9397.6 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1437
Goodness-of-fit parameter for all reflections included in the refinement	1.138
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.	4101930.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4101930.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4101930.cif
24749	2011-09-07	../uploads/cif-deposit/cod/cif Adding structures of 4101930 via cif-deposit CGI script.	4101930.cif