Crystallography Open Database

Information card for entry 7015589

Preview

Coordinates	7015589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H62 Cl4 N20 O2 Ru Zn4
Calculated formula	C54 H62.04 Cl4 N20 O2.04 Ru Zn4
Title of publication	Photophysical properties of Kuratowski-type coordination compounds [M(II)Zn(4)Cl(4)(Me(2)bta)(6)] (M(II) = Zn or Ru) featuring long-lived excited electronic states.
Authors of publication	Liu, Ying-Ya; Grzywa, Maciej; Tonigold, Markus; Sastre, German; Schüttrigkeit, Tanja; Leeson, Nicholas S.; Volkmer, Dirk
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	22
Pages of publication	5926 - 5938
a	23.374 ± 0.003 Å
b	23.374 ± 0.003 Å
c	23.374 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	12770 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0302
Residual factor for significantly intense reflections	0.0236
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.06
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179859 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/55.	7015589.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015589.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015589.cif
21197	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015589, 7015590 via cif-deposit CGI script.	7015589.cif