Crystallography Open Database

Information card for entry 7045154

Preview

Coordinates	7045154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22.5 H15.5 Fe N11.5 O2.5 Pt
Calculated formula	C22.5 H15.5 Fe N11.5 O2.5 Pt
Title of publication	Reversible three equal-step spin crossover in an iron(ii) Hofmann-type metal-organic framework.
Authors of publication	Liu, Fu-Ling; Li, Dong; Su, Li-Jie; Tao, Jun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	5
Pages of publication	1407 - 1411
a	27.5743 ± 0.0007 Å
b	28.9781 ± 0.0009 Å
c	7.3466 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	5870.3 ± 0.3 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	6
Space group number	55
Hermann-Mauguin space group symbol	P b a m
Hall space group symbol	-P 2 2ab
Residual factor for all reflections	0.1594
Residual factor for significantly intense reflections	0.112
Weighted residual factors for significantly intense reflections	0.2763
Weighted residual factors for all reflections included in the refinement	0.3043
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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