Crystallography Open Database

Information card for entry 4069429

Preview

Coordinates	4069429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H62 B2 K2 N12 O8
Calculated formula	C43 H62 B2 K2 N12 O8
Title of publication	Photochemistry of Cymantrenyl Scorpionates: Formation of a Novel Tritopic Cyclopentadienyl/Scorpionate Hybrid Ligand
Authors of publication	Kunz, Kerstin; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	10
Pages of publication	3079
a	13.4501 ± 0.0011 Å
b	13.8661 ± 0.001 Å
c	16.171 ± 0.0013 Å
α	110.104 ± 0.006°
β	107.52 ± 0.006°
γ	92.996 ± 0.006°
Cell volume	2659.6 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.1236
Residual factor for significantly intense reflections	0.0908
Weighted residual factors for significantly intense reflections	0.2601
Weighted residual factors for all reflections included in the refinement	0.2891
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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