Crystallography Open Database

Information card for entry 4337437

Preview

Coordinates	4337437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H10 Au Fe N7
Calculated formula	C15 H10 Au Fe N7
Title of publication	Spin-crossover behavior in two new supramolecular isomers.
Authors of publication	Yan, Zheng; Ni, Zhao-Ping; Guo, Fu-Sheng; Li, Jin-Yan; Chen, Yan-Chong; Liu, Jun-Liang; Lin, Wei-Quan; Aravena, Daniel; Ruiz, Eliseo; Tong, Ming-Liang
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	1
Pages of publication	201 - 208
a	14.4588 ± 0.0014 Å
b	10.9079 ± 0.0009 Å
c	21.423 ± 0.002 Å
α	90°
β	101.441 ± 0.002°
γ	90°
Cell volume	3311.6 ± 0.5 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	0.089
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
179477 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/74.	4337437.cif
106375	2014-03-15	cif/ Adding structures of 4337437, 4337438, 4337439, 4337440, 4337441, 4337442 via cif-deposit CGI script.	4337437.cif