Crystallography Open Database

Information card for entry 7715899

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Coordinates	7715899.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H31.33 Fe N16 O3.17 Pd
Calculated formula	C40 H31.3332 Fe N16 O3.1666 Pd
Title of publication	New cyanido-bridged iron(II) spin crossover coordination polymers with unusual ladder-like topology: an alternative to Hofmann clathrates
Authors of publication	Alexandru, Maria-Gabriela; Visinescu, Diana; Shylin, Sergii I.; Shova, Sergiu; Novitchi, Ghénadie; Popescu, Delia-Laura
Journal of publication	Dalton Transactions
Year of publication	2024
a	9.84 ± 0.0008 Å
b	11.7209 ± 0.0009 Å
c	18.2393 ± 0.0015 Å
α	101.995 ± 0.007°
β	93.012 ± 0.007°
γ	102.09 ± 0.006°
Cell volume	2001.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0995
Residual factor for significantly intense reflections	0.0628
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.1495
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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