Crystallography Open Database

Information card for entry 4107066

Preview

Coordinates	4107066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H15 Br N2 O4 Zn
Calculated formula	C11 H15 Br N2 O4 Zn
Title of publication	Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology
Authors of publication	Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	17950 - 17958
a	17.768 ± 0.002 Å
b	17.768 ± 0.002 Å
c	10.4796 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	2865.2 ± 0.5 Å³
Cell temperature	195 ± 2 K
Ambient diffraction temperature	195 ± 2 K
Number of distinct elements	6
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1928
Weighted residual factors for all reflections included in the refinement	0.2133
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
178816 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/70.	4107066.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107066.cif
54716	2012-04-29	cif/ Adding structures of 4107066 via cif-deposit CGI script.	4107066.cif