Crystallography Open Database

Information card for entry 4509394

Preview

Coordinates	4509394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H10 Cl2 N6 O2 Zn
Calculated formula	C14 H10 Cl2 N6 O2 Zn
Title of publication	Microporous Nanotubular Self-Assembly of a Molecular Chair
Authors of publication	Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	7
Pages of publication	2979
a	7.7022 ± 0.0014 Å
b	15.578 ± 0.003 Å
c	10.475 ± 0.002 Å
α	90°
β	111.553 ± 0.002°
γ	90°
Cell volume	1169 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0482
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.1312
Weighted residual factors for all reflections included in the refinement	0.1365
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
179629 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/93.	4509394.cif
97258	2014-01-29	cif/ Adding structures of 4509394 via cif-deposit CGI script.	4509394.cif