Crystallography Open Database

Information card for entry 7220546

7220545 << 7220546 >> 7220547

Preview

Coordinates	7220546.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[FeL5i(azpy)]
Formula	C28 H26 Fe N6 O6
Calculated formula	C28 H26 Fe N6 O6
Title of publication	1D iron(ii) spin crossover coordination polymers with 3,3′-azopyridine ‒ kinetic trapping effects and spin transition above room temperature
Authors of publication	Schönfeld, Sophie; Lochenie, Charles; Thoma, Peter; Weber, Birgit
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	29
Pages of publication	5389
a	10.651 ± 0.001 Å
b	10.802 ± 0.001 Å
c	12.528 ± 0.001 Å
α	97.671 ± 0.004°
β	92.238 ± 0.004°
γ	110.803 ± 0.003°
Cell volume	1329.5 ± 0.2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0557
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	0.923
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
153120 (current)	2015-08-08	cif/ Updating files of 7220546, 7220547 Original log message: Adding full bibliography for 7220546--7220547.cif.	7220546.cif
137272	2015-05-23	cif/ Adding structures of 7220546, 7220547 via cif-deposit CGI script.	7220546.cif