Crystallography Open Database

Information card for entry 7122918

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Coordinates	7122918.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H34 B Cl2 F8 I N P2 Rh
Calculated formula	C43 H34 B Cl2 F8 I N P2 Rh
Title of publication	Halogen Bonding Effects on the Outcome of Reactions at Metal Centres
Authors of publication	Carreras, Lucas; Benet-Buchholz, Jordi; Franconetti, Antonio; Frontera, Antonio; van Leeuwen, Piet W.N.M.; Vidal-Ferran, Anton
Journal of publication	Chemical Communications
Year of publication	2019
a	13.7054 ± 0.0007 Å
b	17.79 ± 0.001 Å
c	19.4855 ± 0.0011 Å
α	75.04 ± 0.001°
β	70.304 ± 0.001°
γ	78.784 ± 0.001°
Cell volume	4291.1 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1159
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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