Crystallography Open Database

Information card for entry 4500269

Preview

Coordinates	4500269.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Br4 N8 O4 Zn2
Calculated formula	C36 H28 Br4 N8 O4 Zn2
SMILES	Br[Zn]1([n]2cccc(c2)NC(=O)c2cccc(c2)C(=O)Nc2ccc[n](c2)[Zn]([n]2cccc(c2)NC(=O)c2cccc(c2)C(=O)Nc2ccc[n]1c2)(Br)Br)Br
Title of publication	A New Series of ZnIICoordination Polymer Based Metallogels Derived from Bis-pyridyl-bis-amide Ligands: A Crystal Engineering Approach
Authors of publication	Adarsh, N. N.; Dastidar, Parthasarathi
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	1
Pages of publication	328
a	7.8225 ± 0.0009 Å
b	8.4218 ± 0.0009 Å
c	14.8851 ± 0.0016 Å
α	82.023 ± 0.002°
β	80.663 ± 0.002°
γ	78.46 ± 0.002°
Cell volume	942.32 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0761
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
179533 (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 4/50/02.	4500269.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500269.cif
34426	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500268, 4500269, 4500270, 4500271, 4500272, 4500273 via cif-deposit CGI script.	4500269.cif