Crystallography Open Database

Information card for entry 7210396

Preview

Coordinates	7210396.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu5]
Formula	C40 H47 Cl2 Cu5 N12 O20
Calculated formula	C40 H47 Cl2 Cu5 N12 O20
Title of publication	Progressive decoration of pentanuclear Cu(ii) 12-metallacrown-4 nodes towards targeted 1- and 2D extended networks
Authors of publication	McDonald, Cecelia; Whyte, Teresa; Taylor, Stephanie M.; Sanz, Sergio; Brechin, Euan K.; Gaynor, Declan; Jones, Leigh F.
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	34
Pages of publication	6672
a	9.3958 ± 0.0019 Å
b	26.777 ± 0.005 Å
c	10.69 ± 0.002 Å
α	90°
β	100.54 ± 0.03°
γ	90°
Cell volume	2644.1 ± 0.9 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0746
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.0686
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180434 (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 7/21/03.	7210396.cif
87613	2013-08-27	cif/ Adding structures of 7210391, 7210392, 7210393, 7210394, 7210395, 7210396, 7210397 via cif-deposit CGI script.	7210396.cif