Crystallography Open Database

Information card for entry 7206754

7206753 << 7206754 >> 7206755

Preview

Coordinates	7206754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H13 Cl3 N4 Zn
Calculated formula	C20 H13 Cl3 N4 Zn
Title of publication	Zinc(ii) coordination polymers, metallohexacycles and metallocapsules—do we understand self-assembly in metallosupramolecular chemistry: algorithms or serendipity?
Authors of publication	Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Zampese, Jennifer A.
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	22
Pages of publication	6864
a	17.353 ± 0.003 Å
b	10.3148 ± 0.0016 Å
c	20.974 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	3754.2 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7206754.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206754.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206754.cif
30001	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7206751, 7206752, 7206753, 7206754, 7206755, 7206756 via cif-deposit CGI script.	7206754.cif