Crystallography Open Database

Information card for entry 4310067

Preview

Coordinates	4310067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Ag2 Fe N8
Calculated formula	C12 H8 Ag2 Fe N8
Title of publication	Architectural Isomerism in the Three-Dimensional Polymeric Spin Crossover System {Fe(pmd)2[Ag(CN)2]2}: Synthesis, Structure, Magnetic Properties, and Calorimetric Studies
Authors of publication	Ana Galet; M. Carmen Muñoz; Ana B. Gaspar; José A. Real
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	8749 - 8755
a	6.975 ± 0.0003 Å
b	16.17 ± 0.0009 Å
c	14.202 ± 0.0008 Å
α	90°
β	97.954 ± 0.002°
γ	90°
Cell volume	1586.37 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0661
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	0.911
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
179139 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/00.	4310067.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310067.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310067.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4310067.cif