Crystallography Open Database

Information card for entry 7706481

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Coordinates	7706481.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	18.452 ± 0.0002 Å
b	20.1395 ± 0.0003 Å
c	15.0697 ± 0.0002 Å
α	90°
β	94.254 ± 0.001°
γ	90°
Cell volume	5584.68 ± 0.13 Å³
Cell temperature	298 ± 0.1 K
Ambient diffraction temperature	298 ± 0.1 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	0.065
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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