Crystallography Open Database

Information card for entry 7025464

Preview

Coordinates	7025464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H52 Cr2 Fe2 Mn2 N14 O41
Calculated formula	C54 H50 Cr2 Fe2 Mn2 N14 O41
Title of publication	2D and 3D bimetallic oxalate-based ferromagnets prepared by insertion of different Fe(III) spin crossover complexes.
Authors of publication	Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	20
Pages of publication	4903 - 4910
a	12.712 ± 0.003 Å
b	15.933 ± 0.003 Å
c	18.379 ± 0.004 Å
α	90°
β	106.59 ± 0.03°
γ	90°
Cell volume	3567.5 ± 1.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1713
Residual factor for significantly intense reflections	0.073
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1418
Goodness-of-fit parameter for all reflections included in the refinement	0.827
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
179960 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/54.	7025464.cif
93060	2014-01-12	cif/ Adding structures of 7025464, 7025465 via cif-deposit CGI script.	7025464.cif