Crystallography Open Database

Information card for entry 7111917

7111916 << 7111917 >> 7111918

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Coordinates	7111917.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H18 Fe N8 O4 Pt
Calculated formula	C30 H13 Fe N8 O4 Pt
Title of publication	Two- and one-step cooperative spin transitions in Hofmann-like clathrates with enhanced loading capacity
Authors of publication	Lucia Pineiro-Lopez; Maksym Seredyuk; M. Carmen Munoz; Jose A. Real
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	1833
a	7.2443 ± 0.0004 Å
b	13.8127 ± 0.0008 Å
c	15.4746 ± 0.0009 Å
α	80.352 ± 0.005°
β	87.669 ± 0.005°
γ	89.842 ± 0.005°
Cell volume	1525.26 ± 0.15 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 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	0.0634
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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