Crystallography Open Database

Information card for entry 4104357

Preview

Coordinates	4104357.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	none
Formula	C33 H20 Cu2 N3 O9
Calculated formula	C33 H20 Cu2 N3 O9
Title of publication	Interconversion between Molecular Polyhedra and Metal-Organic Frameworks
Authors of publication	Jian-Rong Li; Daren J. Timmons; Hong-Cai Zhou
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	6368 - 6369
a	30.5521 ± 0.0015 Å
b	30.5521 ± 0.0015 Å
c	30.5521 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	28518 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	229
Hermann-Mauguin space group symbol	I m -3 m
Hall space group symbol	-I 4 2 3
Residual factor for all reflections	0.2597
Residual factor for significantly intense reflections	0.0796
Weighted residual factors for significantly intense reflections	0.211
Weighted residual factors for all reflections included in the refinement	0.2851
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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
178789 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/43.	4104357.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104357.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104357.cif
28883	2011-11-02	../uploads/cif-deposit/cod/cif Adding structures of 4104357 via cif-deposit CGI script.	4104357.cif