Crystallography Open Database

Information card for entry 7115073

Preview

Coordinates	7115073.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[1,3-benzenedicarboxylate-1,2-bis(4-pyridyl)ethane-zinc(II)] dichloromethane solvate
Formula	C10.5 H9 Cl N O2 Zn0.5
Calculated formula	C10.5 H9 Cl N O2 Zn0.5
Title of publication	Coexisting covalent and noncovalent nets: parallel interpenetration of a puckered rectangular coordination polymer and aromatic noncovalent nets
Authors of publication	Lu, Jianjiang; Moulton, Brian; Zaworotko, Michael J.; Bourne, Susan A.
Journal of publication	Chemical Communications
Year of publication	2001
Journal issue	9
Pages of publication	861
a	10.02 ± 0.001 Å
b	15.1945 ± 0.0015 Å
c	13.6885 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	2084.1 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0483
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1146
Weighted residual factors for all reflections included in the refinement	0.1167
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7115073.cif
118514	2014-06-30	cif/ Adding structures of 7115068, 7115069, 7115070, 7115071, 7115072, 7115073, 7115074 via cif-deposit CGI script.	7115073.cif