Crystallography Open Database

Information card for entry 4511031

Preview

Coordinates	4511031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H48 Fe2 N6 O20 S2
Calculated formula	C18 H48 Fe2 N6 O20 S2
Title of publication	D3-Symmetric Supramolecular Cation {(Me2NH2)6(SO4)}4+As a New Template for 3D Homochiral (10,3)-a Metal Oxalates
Authors of publication	Li, Cui-Rui; Li, Shi-Li; Zhang, Xian-Ming
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	4
Pages of publication	1702
a	15.5863 ± 0.0006 Å
b	15.5863 ± 0.0006 Å
c	15.5863 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3786.4 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	214
Hermann-Mauguin space group symbol	I 41 3 2
Hall space group symbol	I 4bd 2c 3
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1085
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
179657 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/10.	4511031.cif
114674	2014-05-29	cif/ Adding structures of 4511031, 4511032, 4511033 via cif-deposit CGI script.	4511031.cif