Crystallography Open Database

Information card for entry 4508397

Preview

Coordinates	4508397.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H46 N4 O24 Zn3
Calculated formula	C50 H46 N4 O24 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	35.892 ± 0.002 Å
b	8.2785 ± 0.0003 Å
c	19.2066 ± 0.0013 Å
α	90°
β	110.656 ± 0.007°
γ	90°
Cell volume	5340 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0864
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1364
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71069 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.	4508397.cif
91420	2013-12-13	cif/ Adding structures of 4508395, 4508396, 4508397, 4508398, 4508399, 4508400 via cif-deposit CGI script.	4508397.cif