Crystallography Open Database

Information card for entry 7041507

Preview

Coordinates	7041507.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Fe(N3)2(4-mpc)]n
Formula	C7 H7 Fe N7 O2
Calculated formula	C7 H7 Fe N7 O2
Title of publication	An Ising iron(ii) chain exhibits a large finite-size energy barrier and "hard" magnetic behaviour.
Authors of publication	Deng, Yi-Fei; Han, Tian; Xue, Wei; Hayashi, Naoaki; Kageyama, Hiroshi; Zheng, Yan-Zhen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	5
Pages of publication	1449 - 1454
a	6.4 ± 0.002 Å
b	8.58 ± 0.003 Å
c	10.802 ± 0.004 Å
α	106.749 ± 0.005°
β	104.441 ± 0.004°
γ	96.194 ± 0.005°
Cell volume	539.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.155
Weighted residual factors for all reflections included in the refinement	0.1629
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
191667 (current)	2017-02-04	cif/ Updating files of 7041507 Original log message: Adding full bibliography for 7041507.cif.	7041507.cif
189260	2016-12-20	cif/ Adding structures of 7041507 via cif-deposit CGI script.	7041507.cif