Crystallography Open Database

Information card for entry 7045151

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Coordinates	7045151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 Fe N9 Pt
Calculated formula	C16 Fe N9 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	27.4566 ± 0.0006 Å
b	7.3683 ± 0.0002 Å
c	14.4844 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2930.32 ± 0.12 Å³
Cell temperature	280 ± 2 K
Ambient diffraction temperature	280 ± 2 K
Number of distinct elements	4
Space group number	51
Hermann-Mauguin space group symbol	P m m a
Hall space group symbol	-P 2a 2a
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.1235
Weighted residual factors for all reflections included in the refinement	0.1252
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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