Crystallography Open Database

Information card for entry 4107070

Preview

Coordinates	4107070.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H15 Br N2 O2 Zn
Calculated formula	C11 H15 Br N2 O2 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	17.859 ± 0.001 Å
b	17.859 ± 0.001 Å
c	10.5031 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	2901.1 ± 0.4 Å³
Cell temperature	313 ± 2 K
Ambient diffraction temperature	313 ± 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	0.06
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1512
Weighted residual factors for all reflections included in the refinement	0.1532
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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.	4107070.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107070.cif
54721	2012-04-29	cif/ Adding structures of 4107070 via cif-deposit CGI script.	4107070.cif