Crystallography Open Database

Information card for entry 4339114

Preview

Coordinates	4339114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.5 H34 Cr2 Fe N14 O24
Calculated formula	C56.5 H34 Cr2 Fe N14 O24
Title of publication	Structural, thermal, and magnetic study of solvation processes in spin-crossover [Fe(bpp)(2)][Cr(L)(ox)(2)](2).nH(2)O complexes.
Authors of publication	Clemente-León, Miguel; Coronado, Eugenio; Giménez-López, M Carmen; Romero, Francisco M.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	11266 - 11276
a	15.548 ± 0.0005 Å
b	20.52 ± 0.0008 Å
c	21.476 ± 0.0007 Å
α	90°
β	98.127 ± 0.003°
γ	90°
Cell volume	6783 ± 0.4 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1333
Residual factor for significantly intense reflections	0.0815
Weighted residual factors for significantly intense reflections	0.241
Weighted residual factors for all reflections included in the refinement	0.2994
Goodness-of-fit parameter for all reflections included in the refinement	1.151
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4339114.cif
117147	2014-06-14	cif/ Adding structures of 4339114 via cif-deposit CGI script.	4339114.cif