Crystallography Open Database

Information card for entry 7210395

Preview

Coordinates	7210395.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu5]-tzp
Formula	C48 H56 Cl2 Cu5 N12 O18
Calculated formula	C48 H56 Cl2 Cu5 N12 O18
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	12.6809 ± 0.0003 Å
b	10.7919 ± 0.0003 Å
c	20.7122 ± 0.0005 Å
α	90°
β	100.018 ± 0.002°
γ	90°
Cell volume	2791.27 ± 0.12 Å³
Cell temperature	149.8 K
Ambient diffraction temperature	149.8 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0574
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7210395.cif
87613	2013-08-27	cif/ Adding structures of 7210391, 7210392, 7210393, 7210394, 7210395, 7210396, 7210397 via cif-deposit CGI script.	7210395.cif