Crystallography Open Database

Information card for entry 4341404

Preview

Coordinates	4341404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H26 Br6 Cr Fe Mn N8 O14
Calculated formula	C47 H26 Br6 Cr Fe Mn N8 O14
Title of publication	One-Dimensional and Two-Dimensional Anilate-Based Magnets with Inserted Spin-Crossover Complexes.
Authors of publication	Abhervé, Alexandre; Clemente-León, Miguel; Coronado, Eugenio; Gómez-García, Carlos J; Verneret, Martin
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141028153405005
a	14.1383 ± 0.0007 Å
b	22.3075 ± 0.001 Å
c	23.4765 ± 0.0011 Å
α	90°
β	103.2 ± 0.005°
γ	90°
Cell volume	7208.6 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2493
Residual factor for significantly intense reflections	0.1505
Weighted residual factors for significantly intense reflections	0.3565
Weighted residual factors for all reflections included in the refinement	0.4105
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179517 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14.	4341404.cif
126013	2014-10-30	cif/ Adding structures of 4341404 via cif-deposit CGI script.	4341404.cif