Crystallography Open Database

Information card for entry 7210397

Preview

Coordinates	7210397.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu5]
Formula	C32 H40 Cl2 Cu5 N8 O21
Calculated formula	C32 H40 Cl2 Cu5 N8 O20.99
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	11.064 ± 0.0003 Å
b	12.275 ± 0.0004 Å
c	17.2399 ± 0.0006 Å
α	110.321 ± 0.003°
β	96.075 ± 0.003°
γ	96.316 ± 0.002°
Cell volume	2156.1 ± 0.13 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0742
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7210397.cif
87613	2013-08-27	cif/ Adding structures of 7210391, 7210392, 7210393, 7210394, 7210395, 7210396, 7210397 via cif-deposit CGI script.	7210397.cif