Crystallography Open Database

Information card for entry 4339116

Preview

Coordinates	4339116.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H47 Cr Fe2 N22 O9
Calculated formula	C54 H34 Cr2 Fe N14 O16.5
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	8.695 ± 0.0002 Å
b	15.377 ± 0.0004 Å
c	21.415 ± 0.0006 Å
α	73.433 ± 0.001°
β	78.994 ± 0.001°
γ	78.288 ± 0.0012°
Cell volume	2660.12 ± 0.12 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1925
Residual factor for significantly intense reflections	0.0759
Weighted residual factors for significantly intense reflections	0.1907
Weighted residual factors for all reflections included in the refinement	0.2873
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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
179494 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/91.	4339116.cif
117149	2014-06-14	cif/ Adding structures of 4339116 via cif-deposit CGI script.	4339116.cif