Crystallography Open Database

Information card for entry 7112842

Preview

Coordinates	7112842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H58 Cu2 N10 O14
Calculated formula	C54 H58 Cu2 N10 O14
Title of publication	The coordination preferences of metal centres modulate superexchange coupling interactions in a metallo-supramolecular helical assembly.
Authors of publication	Pedrido, Rosa; Vázquez López, Miguel; Sorace, Lorenzo; González-Noya, Ana M; Cwiklinska, Magdalena; Suárez-Gómez, Vanesa; Zaragoza, Guillermo; Bermejo, Manuel R.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	26
Pages of publication	4797 - 4799
a	13.648 ± 0.003 Å
b	14.042 ± 0.003 Å
c	16.315 ± 0.004 Å
α	106.876 ± 0.004°
β	111.615 ± 0.004°
γ	97.038 ± 0.004°
Cell volume	2687.5 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.177
Residual factor for significantly intense reflections	0.0823
Weighted residual factors for significantly intense reflections	0.1669
Weighted residual factors for all reflections included in the refinement	0.2282
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
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
180242 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/28.	7112842.cif
112118	2014-04-29	cif/ Adding structures of 7112842, 7112843 via cif-deposit CGI script.	7112842.cif