Crystallography Open Database

Information card for entry 7703844

Preview

Coordinates	7703844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 Fe N8 Pd
Calculated formula	C20 H12 Fe N8 Pd
Title of publication	Spin crossover in 2D iron(ii) phthalazine cyanometallic complexes.
Authors of publication	Hiiuk, Volodymyr M.; Shova, Sergiu; Rotaru, Aurelian; Golub, Alexander A.; Fritsky, Igor O.; Gural'skiy, Il'ya A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	16
Pages of publication	5302 - 5311
a	7.0962 ± 0.0007 Å
b	7.1676 ± 0.0007 Å
c	10.1546 ± 0.0016 Å
α	71.083 ± 0.011°
β	74.381 ± 0.011°
γ	89.881 ± 0.008°
Cell volume	468.49 ± 0.11 Å³
Cell temperature	200.05 ± 0.1 K
Ambient diffraction temperature	200.05 ± 0.1 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	0.0699
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1287
Weighted residual factors for all reflections included in the refinement	0.1362
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
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
251616 (current)	2020-05-05	cif/ Updating files of 7703844, 7703845, 7703846, 7703847 Original log message: Adding full bibliography for 7703844--7703847.cif.	7703844.cif
249692	2020-03-25	cif/ Adding structures of 7703844, 7703845, 7703846, 7703847 via cif-deposit CGI script.	7703844.cif