Crystallography Open Database

Information card for entry 4073931

Preview

Coordinates	4073931.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H45.25 Cl3 N2 O4.5 Rh
Calculated formula	C31 H32 Cl3 N2 O4.5 Rh
Title of publication	Cross-Coupling of Alkynes Catalyzed by Phebox−Rhodium Acetate Complexes
Authors of publication	Ito, Jun-ichi; Kitase, Megumi; Nishiyama, Hisao
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	25
Pages of publication	6412
a	17.272 ± 0.011 Å
b	9.691 ± 0.006 Å
c	20.14 ± 0.012 Å
α	90°
β	94.441 ± 0.013°
γ	90°
Cell volume	3361 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0789
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1197
Weighted residual factors for all reflections included in the refinement	0.1295
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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