Crystallography Open Database

Information card for entry 4505559

Preview

Coordinates	4505559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H52 N8 O32 Zn6
Calculated formula	C80 H52 N8 O32 Zn6
Title of publication	Assembly of Discrete One-, Two-, and Three-Dimensional Zn(II) Complexes Containing Semirigid V-Shaped Tricarboxylate Ligands
Authors of publication	Zhang, Shu-Quan; Jiang, Fei-Long; Wu, Ming-Yan; Ma, Jie; Bu, Yang; Hong, Mao-Chun
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1452
a	7.6718 ± 0.0017 Å
b	13.923 ± 0.003 Å
c	19.539 ± 0.005 Å
α	109.64 ± 0.002°
β	90.472 ± 0.002°
γ	105.149 ± 0.002°
Cell volume	1886.7 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0924
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	0.967
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
179590 (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 4/50/55.	4505559.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505559.cif
51808	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505554, 4505555, 4505556, 4505557, 4505558, 4505559 via cif-deposit CGI script.	4505559.cif