Crystallography Open Database

Information card for entry 4325701

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Coordinates	4325701.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H93 La N8 Ti6
Calculated formula	C60 H93 La N8 Ti6
Title of publication	Molecular Nitrides with Titanium and Rare-Earth Metals
Authors of publication	Jorge Caballo; María García-Castro; Avelino Martín; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	6798 - 6808
a	27.961 ± 0.006 Å
b	11.5876 ± 0.0011 Å
c	20.911 ± 0.005 Å
α	90°
β	106.13 ± 0.02°
γ	90°
Cell volume	6508 ± 2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1003
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1422
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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