Crystallography Open Database

Information card for entry 7113783

Preview

Coordinates	7113783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H50 B Cl8 Cu6 F4 N9
Calculated formula	C20 H51 B Cl8 Cu6 F4 N9
Title of publication	Trimethyltriazacyclohexane as bridging ligand for triangular Cu3 units and C‒H hydride abstraction into a Cu6 cluster
Authors of publication	Köhn, Randolf D.; Pan, Zhida; Mahon, Mary F.; Kociok-Köhn, Gabriele
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	11
Pages of publication	1272 - 1273
a	14.991 ± 0.0003 Å
b	13.405 ± 0.0004 Å
c	20.313 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4081.99 ± 0.18 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1339
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7103685
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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