Crystallography Open Database

Information card for entry 7116401

Preview

Coordinates	7116401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C211.17 H272.75 Cl8 Fe4 N47.58 O47
Calculated formula	C211.17 H272.755 Cl8 Fe4 N47.585 O47
Title of publication	Chiral tetrahedral iron(II) cages: diastereoselective subcomponent self-assembly, structure interconversion and spin-crossover properties
Authors of publication	Dong-Hong Ren; Dan Qiu; Chun-Yan Pang; Zaijun Li; Zhi-Guo Gu
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	788
a	19.6065 ± 0.0009 Å
b	19.7357 ± 0.0008 Å
c	20.2252 ± 0.0009 Å
α	116.621 ± 0.0011°
β	115.561 ± 0.0012°
γ	94.4565 ± 0.0013°
Cell volume	5944.6 ± 0.5 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.1278
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.2055
Weighted residual factors for all reflections included in the refinement	0.2337
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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