Crystallography Open Database

Information card for entry 4326296

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Coordinates	4326296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H48 Fe2 N24 Ni3
Calculated formula	C24 H48 Fe2 N24 Ni3
Title of publication	Crystal Water Molecules as Magnetic Tuners in Molecular Metamagnets Exhibiting Antiferro-Ferro-Paramagnetic Transitions
Authors of publication	Radovan Herchel; Jiří Tuček; Zdeněk Trávníček; Dimitris Petridis; Radek Zbořil
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9153 - 9163
a	7.4441 ± 0.0005 Å
b	9.5528 ± 0.0006 Å
c	14.455 ± 0.0008 Å
α	78.584 ± 0.005°
β	77.08 ± 0.005°
γ	79.211 ± 0.005°
Cell volume	971.03 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	0.938
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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