Crystallography Open Database

Information card for entry 7707512

Preview

Coordinates	7707512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H18 Fe N8 Pt
Calculated formula	C28 H18 Fe N8 Pt
Title of publication	Spin crossover metal-organic frameworks with inserted photoactive guests: on the quest to control the spin state by photoisomerization.
Authors of publication	Brachňaková, Barbora; Moncoľ, Ján; Pavlik, Ján; Šalitroš, Ivan; Bonhommeau, Sébastien; Valverde-Muñoz, Francisco Javier; Salmon, Lionel; Molnár, Gábor; Routaboul, Lucie; Bousseksou, Azzedine
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	25
Pages of publication	8877 - 8888
a	6.8681 ± 0.0002 Å
b	7.3161 ± 0.0002 Å
c	13.443 ± 0.0005 Å
α	79.253 ± 0.003°
β	76.78 ± 0.003°
γ	89.413 ± 0.003°
Cell volume	645.67 ± 0.04 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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	0.0494
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267173 (current)	2021-07-05	cif/ Updating files of 7707511, 7707512 Original log message: Adding full bibliography for 7707511--7707512.cif.	7707512.cif
265569	2021-05-28	cif/ Adding structures of 7707511, 7707512 via cif-deposit CGI script.	7707512.cif