Crystallography Open Database

Information card for entry 4101708

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Coordinates	4101708.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 Cl F4 N2 O6 P2 Re
Calculated formula	C48 H42 Cl F4 N2 O6 P2 Re
Title of publication	Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.
Authors of publication	Kaufhold, Oliver; Stasch, Andreas; Pape, Tania; Hepp, Alexander; Edwards, Peter G.; Newman, Paul D.; Hahn, F. Ekkehardt
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Journal issue	1
Pages of publication	306 - 317
a	11.201 ± 0.005 Å
b	11.8 ± 0.005 Å
c	20.504 ± 0.005 Å
α	92.239 ± 0.005°
β	100.058 ± 0.005°
γ	117.123 ± 0.005°
Cell volume	2353.1 ± 1.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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