Crystallography Open Database

Information card for entry 7029721

Preview

Coordinates	7029721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H50 Cl6 Fe N3 O14
Calculated formula	C36 H48 Cl6 Fe N3 O14
Title of publication	Halogen-bonding in a new family of tris(haloanilato)metallate(iii) magnetic molecular building blocks.
Authors of publication	Atzori, Matteo; Artizzu, Flavia; Sessini, Elisa; Marchiò, Luciano; Loche, Danilo; Serpe, Angela; Deplano, Paola; Concas, Giorgio; Pop, Flavia; Avarvari, Narcis; Laura Mercuri, Maria
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	19
Pages of publication	7006 - 7019
a	26.34 ± 0.006 Å
b	16.51 ± 0.004 Å
c	10.564 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4594 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0572
Weighted residual factors for significantly intense reflections	0.1562
Weighted residual factors for all reflections included in the refinement	0.1735
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
180003 (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 7/02/97.	7029721.cif
111185	2014-04-21	cif/ Updating files of 7029721 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-12899/cifs/7029721.cif.	7029721.cif
109538	2014-04-16	cif/ Adding structures of 7029721, 7029722, 7029723, 7029724 via cif-deposit CGI script.	7029721.cif