Crystallography Open Database

Information card for entry 7715706

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Coordinates	7715706.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H32 Fe N10 O11
Calculated formula	C31 H32 Fe N10 O11
Title of publication	Hydrogen-bonded assemblies of iron(II) spin crossover complexes
Authors of publication	Jornet-Mollá, Verónica; Rodríguez-Tarrazó, Marina Iris; Dolz Lozano, Miquel Jordi; Giménez-Saiz, Carlos; Romero, Francisco M.
Journal of publication	Dalton Transactions
Year of publication	2024
a	8.1212 ± 0.0002 Å
b	31.2063 ± 0.0008 Å
c	13.5547 ± 0.0004 Å
α	90°
β	96.059 ± 0.003°
γ	90°
Cell volume	3416.01 ± 0.16 Å³
Cell temperature	120 ± 0.14 K
Ambient diffraction temperature	120 ± 0.14 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1994
Residual factor for significantly intense reflections	0.075
Weighted residual factors for significantly intense reflections	0.1474
Weighted residual factors for all reflections included in the refinement	0.2055
Goodness-of-fit parameter for all reflections included in the refinement	0.99
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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