Crystallography Open Database

Information card for entry 7113793

Preview

Coordinates	7113793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H44 Cu2 O20
Calculated formula	C46 H24 Cu2 O20
Title of publication	Homochiral 3D open frameworks assembled from 1- and 2-D coordination polymers
Authors of publication	Cui, Yong; Ngo, Helen L.; White, Peter S.; Lin, Wenbin
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	8
Pages of publication	994 - 995
a	10.92 ± 0.03 Å
b	14.03 ± 0.04 Å
c	19.96 ± 0.06 Å
α	90°
β	90°
γ	90°
Cell volume	3058 ± 15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	23
Hermann-Mauguin space group symbol	I 2 2 2
Hall space group symbol	I 2 2
Residual factor for all reflections	0.176
Residual factor for significantly intense reflections	0.1194
Weighted residual factors for significantly intense reflections	0.2626
Weighted residual factors for all reflections included in the refinement	0.2899
Goodness-of-fit parameter for all reflections included in the refinement	1.358
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7104064
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210518 (current)	2018-09-07	cif/7/ Updating bibliography in entries 7104064-7104065, 7113793-7113794. Marking entries 7113793-7113794 as duplicates of entries 7104064-7104065.	7113793.cif
180251	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/37.	7113793.cif
115270	2014-06-02	cif/ Adding structures of 7113793, 7113794 via cif-deposit CGI script.	7113793.cif