Crystallography Open Database

Information card for entry 4506319

Preview

Coordinates	4506319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Cu2 N6 O8
Calculated formula	C18 H22 Cu2 N6 O8
Title of publication	A Series of Chiral Metal–Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption
Authors of publication	Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	6
Pages of publication	3304
a	10.764 ± 0.004 Å
b	26.969 ± 0.009 Å
c	9.724 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2822.8 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0809
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1842
Weighted residual factors for all reflections included in the refinement	0.2047
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
278046 (current)	2022-09-21	cod/ Updated space group information using the 'cif_filter' program.	4506319.cif
179599	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 4/50/63.	4506319.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506319.cif
62230	2012-07-07	cif/ Adding structures of 4506319, 4506320, 4506321, 4506322, 4506323 via cif-deposit CGI script.	4506319.cif