Crystallography Open Database

Information card for entry 7034477

Preview

Coordinates	7034477.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[hdma]1.5(Fe5F7OwCOO)(Amtetraz)4)
Formula	C8 H23 F7 Fe5 N21.5 O3
Calculated formula	C8 H8 F7 Fe5 N21.5 O3
Title of publication	New iron tetrazolate frameworks: synthesis, temperature effect, thermal behaviour, Mössbauer and magnetic studies.
Authors of publication	Pimenta, Vanessa; Le, Quang Hoang Hanh; Clark, Lucy; Lhoste, Jérôme; Hémon-Ribaud, Annie; Leblanc, Marc; Grenèche, Jean-Marc; Dujardin, Gilles; Lightfoot, Philip; Maisonneuve, Vincent
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	17
Pages of publication	7951 - 7959
a	6.6118 ± 0.0006 Å
b	12.4325 ± 0.0011 Å
c	8.8075 ± 0.0007 Å
α	90°
β	107.723 ± 0.003°
γ	90°
Cell volume	689.63 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	10
Hermann-Mauguin space group symbol	P 1 2/m 1
Hall space group symbol	-P 2y
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7034477.cif
138749	2015-06-07	cif/ Updating files of 7034477, 7034478 Original log message: Adding full bibliography for 7034477--7034478.cif.	7034477.cif
134172	2015-03-20	cif/ Adding structures of 7034477, 7034478 via cif-deposit CGI script.	7034477.cif