Crystallography Open Database

Information card for entry 1516536

Preview

Coordinates	1516536.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	avm02
Formula	C236 H212 N20 O66 S4 Zn16
Calculated formula	C236 H172 N20 O66 S4 Zn16
Title of publication	Zinc-seamed pyrogallol[4]arene dimers as structural components in a two-dimensional MOF
Authors of publication	Mossine, Andrew V.; Mayhan, Collin M.; Fowler, Drew A.; Teat, Simon J.; Deakyne, Carol A.; Atwood, Jerry L.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	6
Pages of publication	2297
a	20.78 ± 0.002 Å
b	34.908 ± 0.004 Å
c	14.4254 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	10464 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	50
Hermann-Mauguin space group symbol	P b a n :2
Hall space group symbol	-P 2ab 2b
Residual factor for all reflections	0.1359
Residual factor for significantly intense reflections	0.0991
Weighted residual factors for significantly intense reflections	0.3217
Weighted residual factors for all reflections included in the refinement	0.3569
Goodness-of-fit parameter for all reflections included in the refinement	1.39
Diffraction radiation wavelength	0.7749 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516536.cif
116024	2014-06-06	cif/ Adding structures of 1516536 via cif-deposit CGI script.	1516536.cif