Crystallography Open Database

Information card for entry 7036894

Preview

Coordinates	7036894.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H24 Fe K N8
Calculated formula	C14 H24 Fe K N8
SMILES	C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N.[K+].C[N+](C)(C)C.C[N+](C)(C)C
Title of publication	Cation-dependent structural phase transition and dielectric response in a family of cyano-bridged perovskite-like coordination polymers
Authors of publication	Xu, Wei-Jian; Chen, Shao-Li; Hu, Zhi-Tao; Lin, Rui-Biao; Su, Yu-Jun; Zhang, Wei-Xiong; Chen, Xiao-Ming
Journal of publication	Dalton Trans.
Year of publication	2015
a	8.843 ± 0.002 Å
b	8.843 ± 0.002 Å
c	12.15 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	950.1 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	87
Hermann-Mauguin space group symbol	I 4/m
Hall space group symbol	-I 4
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0759
Weighted residual factors for all reflections included in the refinement	0.0762
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7036894.cif
169399	2015-10-21	cif/ Adding structures of 7036888, 7036889, 7036890, 7036891, 7036892, 7036893, 7036894, 7036895 via cif-deposit CGI script.	7036894.cif