Crystallography Open Database

Information card for entry 7704303

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Coordinates	7704303.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H40 Fe2 N16 Pt2
Calculated formula	C56 H40 Fe2 N15 Pt2
Title of publication	Temperature-dependent hysteretic two-step spin crossover in two-dimensional Hofmann-type compounds.
Authors of publication	Li, Yue; Liu, Min; Yao, Zi-Shuo; Tao, Jun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	21
Pages of publication	7245 - 7251
a	7.4043 ± 0.0004 Å
b	15.1012 ± 0.0006 Å
c	28.6158 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	3199.6 ± 0.3 Å³
Cell temperature	298 ± 1 K
Ambient diffraction temperature	298 ± 1 K
Number of distinct elements	5
Space group number	74
Hermann-Mauguin space group symbol	I m m a
Hall space group symbol	-I 2b 2
Residual factor for all reflections	0.0443
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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