Crystallography Open Database

Information card for entry 4508399

Preview

Coordinates	4508399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H62 N12 O18 Zn3
Calculated formula	C72 H62 N12 O18 Zn3
Title of publication	Self-Assembled Zn(II) Coordination Complexes Based on Mixed V-Shaped Asymmetric Multicarboxylate and N-Donor Ligands
Authors of publication	Yang, Wei; Wang, Chiming; Ma, Qi; Feng, Xuenan; Wang, Hailong; Jiang, Jianzhuang
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	11
Pages of publication	4695
a	12.6677 ± 0.0006 Å
b	13.7245 ± 0.0008 Å
c	21.2317 ± 0.0012 Å
α	87.678 ± 0.005°
β	80.02 ± 0.004°
γ	75.326 ± 0.004°
Cell volume	3516.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0962
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1103
Weighted residual factors for all reflections included in the refinement	0.125
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179619 (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 4/50/83.	4508399.cif
91420	2013-12-13	cif/ Adding structures of 4508395, 4508396, 4508397, 4508398, 4508399, 4508400 via cif-deposit CGI script.	4508399.cif