Crystallography Open Database

Information card for entry 4342730

Preview

Coordinates	4342730.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H92 Bi6 Br24 Cl2 Fe6 O12
Calculated formula	C73 H92 Bi6 Br24 Cl2 Fe6 O12
Title of publication	Iron-bismuth halido compounds: molecules, clusters, and polymers.
Authors of publication	Wójcik, Katarzyna; Preda, Ana Maria; Mertens, Lutz; Ecorchard, Petra; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	8
Pages of publication	3905 - 3912
a	28.3992 ± 0.001 Å
b	10.9024 ± 0.0003 Å
c	40.7714 ± 0.0006 Å
α	90°
β	106.75 ± 0.003°
γ	90°
Cell volume	12088 ± 0.6 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179530 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/27.	4342730.cif
138175	2015-06-05	cif/ Updating files of 4342729, 4342730 Original log message: Adding full bibliography for 4342729--4342730.cif.	4342730.cif
134502	2015-03-29	cif/ Adding structures of 4342730 via cif-deposit CGI script.	4342730.cif