Crystallography Open Database

Information card for entry 7048066

Preview

Coordinates	7048066.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 Cl2 Fe N12 O8 S2
Calculated formula	C26 H24 Cl2 Fe N12 O8 S2
Title of publication	Above room temperature spin crossover in thioamide-functionalised 2,6-bis(pyrazol-1-yl)pyridine iron(ii) complexes.
Authors of publication	Attwood, Max; Akutsu, Hiroki; Martin, Lee; Cruickshank, Dyanne; Turner, Scott S.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	48
Journal issue	1
Pages of publication	90 - 98
a	8.2973 ± 0.0004 Å
b	9.748 ± 0.0004 Å
c	20.6211 ± 0.0009 Å
α	81.087 ± 0.007°
β	83.793 ± 0.007°
γ	90.517 ± 0.006°
Cell volume	1637.51 ± 0.13 Å³
Cell temperature	102 K
Ambient diffraction temperature	102 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.141
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223936 (current)	2019-11-07	cif/ Updating files of 7048061, 7048062, 7048063, 7048064, 7048065, 7048066, 7048067, 7048068, 7048069, 7048070 Original log message: Adding full bibliography for 7048061--7048070.cif.	7048066.cif
211963	2018-11-15	cif/ Adding structures of 7048061, 7048062, 7048063, 7048064, 7048065, 7048066, 7048067, 7048068, 7048069, 7048070 via cif-deposit CGI script.	7048066.cif