Crystallography Open Database

Information card for entry 7715707

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Coordinates	7715707.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Fe N10 O9
Calculated formula	C36 H36 Fe N10 O9
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	28.8805 ± 0.0005 Å
b	15.381 ± 0.0002 Å
c	8.49297 ± 0.00012 Å
α	90°
β	90°
γ	90°
Cell volume	3772.67 ± 0.1 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1011
Weighted residual factors for all reflections included in the refinement	0.1061
Goodness-of-fit parameter for all reflections included in the refinement	1.101
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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