Crystallography Open Database

Information card for entry 4341405

Preview

Coordinates	4341405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H55.5 Cl13 Cr Fe2 Mn N20.5 O13
Calculated formula	C58 H55.5 Cl13 Cr Fe2 Mn N20.5 O13
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	13.2687 ± 0.0006 Å
b	16.5753 ± 0.0004 Å
c	20.3252 ± 0.0007 Å
α	98.056 ± 0.003°
β	98.056 ± 0.003°
γ	95.922 ± 0.003°
Cell volume	4347.9 ± 0.3 Å³
Cell temperature	220 ± 0.1 K
Ambient diffraction temperature	220 ± 10 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2368
Residual factor for significantly intense reflections	0.1101
Weighted residual factors for significantly intense reflections	0.2711
Weighted residual factors for all reflections included in the refinement	0.3631
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4341405.cif
126014	2014-10-30	cif/ Adding structures of 4341405 via cif-deposit CGI script.	4341405.cif