Crystallography Open Database

Information card for entry 7029724

Preview

Coordinates	7029724.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H68 Fe I6 O16 P3
Calculated formula	C90 H60 Fe I6 O16 P3
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	35.023 ± 0.005 Å
b	12.482 ± 0.002 Å
c	46.347 ± 0.007 Å
α	90°
β	114.467 ± 0.002°
γ	90°
Cell volume	18441 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1688
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.1518
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
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.	7029724.cif
111188	2014-04-21	cif/ Updating files of 7029724 Original log message: Adding full bibliography for ./tmp-cod-update-bibliographies-12899/cifs/7029724.cif.	7029724.cif
109538	2014-04-16	cif/ Adding structures of 7029721, 7029722, 7029723, 7029724 via cif-deposit CGI script.	7029724.cif