Crystallography Open Database

Information card for entry 7214348

Preview

Coordinates	7214348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H106 Cl6 Cu5 N8 O23
Calculated formula	C84 H96 Cl6 Cu5 N8 O22.96
Title of publication	Self-assembly of discrete and polymeric metallosupramolecular architectures from cyclen-derived ligands
Authors of publication	Hawes, Chris S.; Batten, Stuart R.; Turner, David R.
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	18
Pages of publication	3737
a	35.258 ± 0.005 Å
b	8.7597 ± 0.0015 Å
c	29.409 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	9083 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 K
Number of distinct elements	6
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.1302
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1963
Weighted residual factors for all reflections included in the refinement	0.2311
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180474 (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 7/21/43.	7214348.cif
109291	2014-04-10	cif/ Adding structures of 7214343, 7214344, 7214345, 7214346, 7214347, 7214348 via cif-deposit CGI script.	7214348.cif