Crystallography Open Database

Information card for entry 4340631

Preview

Coordinates	4340631.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 Ag2 Fe N12
Calculated formula	C28 H20 Ag2 Fe N12
Title of publication	Enhanced Spin-Crossover Behavior Mediated by Supramolecular Cooperative Interactions.
Authors of publication	Yan, Zheng; Li, Jin-Yan; Liu, Tao; Ni, Zhao-Ping; Chen, Yan-Cong; Guo, Fu-Sheng; Tong, Ming-Liang
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	15
Pages of publication	8129
a	20.9431 ± 0.0015 Å
b	13.3205 ± 0.0004 Å
c	12.8167 ± 0.0009 Å
α	90°
β	112.733 ± 0.009°
γ	90°
Cell volume	3297.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0424
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.1104
Weighted residual factors for all reflections included in the refinement	0.1164
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179509 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06.	4340631.cif
121105	2014-08-04	cif/ Adding structures of 4340630, 4340631, 4340632, 4340633, 4340634 via cif-deposit CGI script.	4340631.cif