Crystallography Open Database

Information card for entry 7217764

Preview

Coordinates	7217764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H68 N7.33 O16.67 Zn2
Calculated formula	C34.0004 H14 N1.33327 O10.6666 Zn2
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	18.5127 ± 0.0003 Å
b	18.5127 ± 0.0003 Å
c	78.4908 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	23296.4 ± 0.8 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1045
Residual factor for significantly intense reflections	0.0922
Weighted residual factors for significantly intense reflections	0.216
Weighted residual factors for all reflections included in the refinement	0.2281
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
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.	7217764.cif
124670	2014-10-06	cif/ Updating files of 7217763, 7217764, 7217765 Original log message: Adding full bibliography for 7217763--7217765.cif.	7217764.cif
121962	2014-08-16	cif/ Adding structures of 7217763, 7217764, 7217765 via cif-deposit CGI script.	7217764.cif