Crystallography Open Database

Information card for entry 7703846

Preview

Coordinates	7703846.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	7.2433 ± 0.0004 Å
b	7.4455 ± 0.0004 Å
c	10.4263 ± 0.0009 Å
α	71.858 ± 0.006°
β	69.586 ± 0.006°
γ	89.943 ± 0.005°
Cell volume	497.11 ± 0.06 Å³
Cell temperature	260 K
Ambient diffraction temperature	260 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	0.0444
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1134
Goodness-of-fit parameter for all reflections included in the refinement	1.141
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.	7703846.cif
249692	2020-03-25	cif/ Adding structures of 7703844, 7703845, 7703846, 7703847 via cif-deposit CGI script.	7703846.cif