Crystallography Open Database

Information card for entry 7215150

Preview

Coordinates	7215150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H42 N4 O13 Zn2
Calculated formula	C54 H42 N4 O13 Zn2
Title of publication	Positional isomeric and substituent effect on the assemblies of a series of d10 coordination polymers based upon unsymmetric tricarboxylate acids and nitrogen-containing ligands
Authors of publication	Liu, Ting; Wang, Suna; Lu, Jing; Dou, Jianmin; Niu, Meiju; Li, Dacheng; Bai, Junfeng
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	27
Pages of publication	5476
a	7.3348 ± 0.0005 Å
b	18.9816 ± 0.0016 Å
c	33.871 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4715.7 ± 0.7 Å³
Cell temperature	125 ± 6 K
Ambient diffraction temperature	125 ± 6 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0904
Residual factor for significantly intense reflections	0.0644
Weighted residual factors for significantly intense reflections	0.1173
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180482 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/51.	7215150.cif
111349	2014-04-21	cif/ Adding structures of 7215147, 7215148, 7215149, 7215150, 7215151, 7215152, 7215153 via cif-deposit CGI script.	7215150.cif