Crystallography Open Database

Information card for entry 4501215

Preview

Coordinates	4501215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H101 Fe14 K3 N2 O116 Sb12
Calculated formula	C48 H24 Fe14 K3 O92.8 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	19.0892 ± 0.0009 Å
b	19.0892 ± 0.0009 Å
c	24.5573 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	7749.7 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	182
Hermann-Mauguin space group symbol	P 63 2 2
Hall space group symbol	P 6c 2c
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1371
Goodness-of-fit parameter for all reflections included in the refinement	1.215
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.	4501215.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501215.cif
34815	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501214, 4501215, 4501216 via cif-deposit CGI script.	4501215.cif