Crystallography Open Database

Information card for entry 4504857

Preview

Coordinates	4504857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H106 N7 O88 S7 Zn28
Calculated formula	C6.99 H69.96 N6.99 O88 S7 Zn28
Title of publication	Synthesis and Characterization of Subcell−Supercell Related Ethylenediamine-Pillared Zinc Hydroxysulfates
Authors of publication	Rujiwatra, Apinpus; Mander, Gavin J.; Kepert, Cameron J.; Rosseinsky, Matthew J.
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	1
Pages of publication	183
a	21.926 ± 0.002 Å
b	21.926 ± 0.002 Å
c	10.5643 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	4398.4 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1369
Weighted residual factors for all reflections included in the refinement	0.1555
Goodness-of-fit parameter for all reflections included in the refinement	0.882
Diffraction radiation wavelength	0.6923 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179583 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/48.	4504857.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504857.cif
50018	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4504857 via cif-deposit CGI script.	4504857.cif