Crystallography Open Database

Information card for entry 7030135

Preview

Coordinates	7030135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H34.64 F6 N8 O8.64 S2 Zn
Calculated formula	C44 H34.638 F6 N8 O8.638 S2 Zn
Title of publication	Self-sorting of metallosupramolecular DCLs via double-level exchange: amplification in solution and solid state modulation.
Authors of publication	Dumitru, Florina; Legrand, Yves-Marie; Petit, Eddy; van der Lee, Arie; Barboiu, Mihail
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	38
Pages of publication	11860 - 11865
a	25.434 ± 0.0016 Å
b	8.312 ± 0.0005 Å
c	23.733 ± 0.0014 Å
α	90°
β	113.34 ± 0.002°
γ	90°
Cell volume	4606.8 ± 0.5 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for all reflections	0.0477
Weighted residual factors for significantly intense reflections	0.0401
Weighted residual factors for all reflections included in the refinement	0.0401
Goodness-of-fit parameter for all reflections included in the refinement	1.0501
Diffraction radiation wavelength	0.50915 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180007 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/01.	7030135.cif
111542	2014-04-24	cif/ Adding structures of 7030135, 7030136 via cif-deposit CGI script.	7030135.cif