Crystallography Open Database

Information card for entry 7706480

Preview

Coordinates	7706480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H26 Fe N10 O4
Calculated formula	C28 H26 Fe N10 O4
Title of publication	Temperature dependence of desolvation effects in hydrogen-bonded spin crossover complexes.
Authors of publication	Jornet-Mollá, Verónica; Giménez-Saiz, Carlos; Vieira, Bruno J. C.; Waerenborgh, João C; Romero, Francisco M.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	7
Pages of publication	2536 - 2544
a	18.3091 ± 0.0005 Å
b	20.116 ± 0.0004 Å
c	14.9144 ± 0.0003 Å
α	90°
β	93.73 ± 0.002°
γ	90°
Cell volume	5481.4 ± 0.2 Å³
Cell temperature	119.9 ± 0.2 K
Ambient diffraction temperature	119.9 ± 0.2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0747
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1094
Goodness-of-fit parameter for all reflections included in the refinement	1.117
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262652 (current)	2021-03-05	cif/ Updating files of 7706480, 7706481 Original log message: Adding full bibliography for 7706480--7706481.cif.	7706480.cif
261136	2021-01-22	cif/ Adding structures of 7706480, 7706481 via cif-deposit CGI script.	7706480.cif