Crystallography Open Database

Information card for entry 4342729

Preview

Coordinates	4342729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Bi4 Cl14 Fe2 N2 O4
Calculated formula	C28 H36 Bi4 Cl14 Fe2 N2 O4
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	12.8907 ± 0.0004 Å
b	15.1214 ± 0.0005 Å
c	15.7675 ± 0.0006 Å
α	99.255 ± 0.003°
β	112.11 ± 0.003°
γ	106.598 ± 0.003°
Cell volume	2601.2 ± 0.19 Å³
Cell temperature	105 K
Ambient diffraction temperature	105 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.0949
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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.	4342729.cif
138175	2015-06-05	cif/ Updating files of 4342729, 4342730 Original log message: Adding full bibliography for 4342729--4342730.cif.	4342729.cif
134501	2015-03-29	cif/ Adding structures of 4342729 via cif-deposit CGI script.	4342729.cif