Crystallography Open Database

Information card for entry 7210394

Preview

Coordinates	7210394.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu5(L)4(4,4-bpy)3](ClO4)2.H2O
Formula	C66 H64 Cl2 Cu5 N14 O17
Calculated formula	C66 H64 Cl2 Cu5 N14 O17
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	11.3776 ± 0.0007 Å
b	12.6211 ± 0.0009 Å
c	12.6793 ± 0.0008 Å
α	90.229 ± 0.006°
β	107.558 ± 0.006°
γ	104.589 ± 0.006°
Cell volume	1673.6 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0953
Residual factor for significantly intense reflections	0.0696
Weighted residual factors for significantly intense reflections	0.1798
Weighted residual factors for all reflections included in the refinement	0.2254
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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.	7210394.cif
87613	2013-08-27	cif/ Adding structures of 7210391, 7210392, 7210393, 7210394, 7210395, 7210396, 7210397 via cif-deposit CGI script.	7210394.cif