Crystallography Open Database

Information card for entry 4502746

Preview

Coordinates	4502746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H66 N12 O12 Zn3
Calculated formula	C78 H66 N12 O12 Zn3
Title of publication	Ligand-Directed Construction of Zn(II) Complexes from Zero-Dimensional Metallomacrocycle to One-, Two-, and Three-Dimensional Coordination Polymers Based on N-Donor and β-Diketone Bifunctional Ligands
Authors of publication	Yang, Ping; Wu, Jin-Ji; Zhou, Hai-Yun; Ye, Bao-Hui
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	1
Pages of publication	99
a	20.5 ± 0.003 Å
b	8.0727 ± 0.001 Å
c	20.27 ± 0.003 Å
α	90°
β	90.534 ± 0.002°
γ	90°
Cell volume	3354.3 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0605
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
179558 (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 4/50/27.	4502746.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4502746.cif
37747	2012-03-04	../uploads/cif-deposit/cod/cif Adding structures of 4502746 via cif-deposit CGI script.	4502746.cif