Crystallography Open Database

Information card for entry 4088734

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Coordinates	4088734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H92 Ba2 N8
Calculated formula	C92 H92 Ba2 N8
Title of publication	Homoleptic Chiral Benzamidinate Complexes of the Heavier Alkaline Earth Metals and the Divalent Lanthanides
Authors of publication	He, Meng; Gamer, Michael T.; Roesky, Peter W.
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	16
Pages of publication	2638
a	13.408 ± 0.0003 Å
b	17.5419 ± 0.0005 Å
c	36.4878 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	8582 ± 0.4 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0484
Weighted residual factors for all reflections included in the refinement	0.0496
Goodness-of-fit parameter for all reflections included in the refinement	0.884
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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