Crystallography Open Database

Information card for entry 7212609

Preview

Coordinates	7212609.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H33 Cd2 Cl N8 O16
Calculated formula	C24 H33 Cd2 Cl N8 O16
Title of publication	Helix-based supramolecular isomerism of metal‒organic framework
Authors of publication	Sang, Rui-Li; Xu, Li
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	11
Pages of publication	3579
a	17.124 ± 0.003 Å
b	17.124 ± 0.003 Å
c	5.3921 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1581.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	90
Hermann-Mauguin space group symbol	P 4 21 2
Hall space group symbol	P 4ab 2ab
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.103
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
180457 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/26.	7212609.cif
93168	2014-01-12	cif/ Adding structures of 7212609, 7212610, 7212611 via cif-deposit CGI script.	7212609.cif