Crystallography Open Database

Information card for entry 4344054

Preview

Coordinates	4344054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 Fe N8 Ni
Calculated formula	C14 H12 Fe N8 Ni
Title of publication	Hysteretic Spin Crossover in Two-Dimensional (2D) Hofmann-Type Coordination Polymers.
Authors of publication	Liu, Wei; Wang, Lu; Su, Yu-Jun; Chen, Yan-Cong; Tucek, Jiri; Zboril, Radek; Ni, Zhao-Ping; Tong, Ming-Liang
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	17
Pages of publication	8711 - 8716
a	15.5187 ± 0.0019 Å
b	6.9647 ± 0.0009 Å
c	7.0685 ± 0.0009 Å
α	90°
β	97.715 ± 0.014°
γ	90°
Cell volume	757.07 ± 0.17 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120.15 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0474
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1264
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
160523 (current)	2015-10-06	cif/ Updating files of 4344054, 4344055 Original log message: Adding full bibliography for 4344054--4344055.cif.	4344054.cif
153360	2015-08-13	cif/ Adding structures of 4344054, 4344055 via cif-deposit CGI script.	4344054.cif