Crystallography Open Database

Information card for entry 4501216

Preview

Coordinates	4501216.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H116 Fe12 K5 N4 Na3 O118 Sb12
Calculated formula	C48 Fe11.774 K5 Na3 O169.33 Sb12
Title of publication	Microporous, Homochiral Structures Containing Iron Oxo-Clusters Supported by Antimony(III) Tartrate Scaffolds
Authors of publication	Gao, Qiang; Wang, Xiqu; Conato, Marlon T.; Makarenko, Tatyana; Jacobson, Allan J.
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	10
Pages of publication	4632
a	18.3733 ± 0.0005 Å
b	18.3733 ± 0.0005 Å
c	73.386 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	21454.5 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for all reflections	0.1196
Residual factor for significantly intense reflections	0.1082
Weighted residual factors for significantly intense reflections	0.275
Weighted residual factors for all reflections included in the refinement	0.2839
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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
179543 (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 4/50/12.	4501216.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501216.cif
34815	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501214, 4501215, 4501216 via cif-deposit CGI script.	4501216.cif