Crystallography Open Database

Information card for entry 7217763

Preview

Coordinates	7217763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C63 H67 N6 O20 Zn3
Calculated formula	C54 H42 N3 O17 Zn3
Title of publication	A new family of zinc metal‒organic framework polymorphs containing anthracene tetracarboxylates
Authors of publication	Konstas, Kristina; Taupitz, Kim F.; Turner, David R.; Kennedy, Danielle F.; Hill, Matthew R.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	38
Pages of publication	8937
a	26.846 ± 0.005 Å
b	27.178 ± 0.005 Å
c	9.766 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7125 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	59
Hermann-Mauguin space group symbol	P m m n
Hall space group symbol	-P 2ab 2a
Residual factor for all reflections	0.2225
Residual factor for significantly intense reflections	0.1213
Weighted residual factors for significantly intense reflections	0.3507
Weighted residual factors for all reflections included in the refinement	0.3981
Goodness-of-fit parameter for all reflections included in the refinement	1.204
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180508 (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 7/21/77.	7217763.cif
124670	2014-10-06	cif/ Updating files of 7217763, 7217764, 7217765 Original log message: Adding full bibliography for 7217763--7217765.cif.	7217763.cif
121962	2014-08-16	cif/ Adding structures of 7217763, 7217764, 7217765 via cif-deposit CGI script.	7217763.cif