Crystallography Open Database

Information card for entry 7029453

Preview

Coordinates	7029453.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H86 Cl8 Cu4 N14 O30
Calculated formula	C72 H86 Cl8 Cu4 N14 O30
Title of publication	Ferro- and antiferromagnetic coupling in a chlorido-bridged, tetranuclear Cu(ii) complex.
Authors of publication	Grosshauser, Michael; Comba, Peter; Kim, Jee Young; Ohto, Keisuke; Thuéry, Pierre; Lee, Young Hoon; Kim, Yang; Harrowfield, Jack
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	15
Pages of publication	5662 - 5666
a	23.311 ± 0.0015 Å
b	8.0645 ± 0.0004 Å
c	44.562 ± 0.003 Å
α	90°
β	92.994 ± 0.006°
γ	90°
Cell volume	8365.8 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1073
Residual factor for significantly intense reflections	0.0684
Weighted residual factors for significantly intense reflections	0.172
Weighted residual factors for all reflections included in the refinement	0.1964
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180000 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/94.	7029453.cif
108307	2014-03-30	cif/ Adding structures of 7029453 via cif-deposit CGI script.	7029453.cif