Crystallography Open Database

Information card for entry 4301896

Preview

Coordinates	4301896.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 Cl4 Cu2 Fe N8
Calculated formula	C24 H16 Cl4 Cu2 Fe N8
Title of publication	Spin-Crossover Behavior in Cyanide-Bridged Iron(II)-Copper(I) Bimetallic 1-3D Metal-Organic Frameworks
Authors of publication	Gloria Agustí; M. Carmen Muñoz; Ana B. Gaspar; José A. Real
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	3371 - 3381
a	17.719 ± 0.0004 Å
b	8.974 ± 0.0002 Å
c	23.995 ± 0.0005 Å
α	90°
β	125.94 ± 0.001°
γ	90°
Cell volume	3089.11 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1441
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.2079
Weighted residual factors for all reflections included in the refinement	0.2631
Goodness-of-fit parameter for all reflections included in the refinement	0.844
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
179056 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/18.	4301896.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301896.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301896.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301896.cif