Crystallography Open Database

Information card for entry 7113162

Preview

Coordinates	7113162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H61 N2 P2 Rh
Calculated formula	C37 H61 N2 P2 Rh
SMILES	[Rh]12([P]([P]1(CC)CC)(CC)CC)N(c1c(cccc1C(C)C)C(C)C)C(=CC(=[N]2c1c(cccc1C(C)C)C(C)C)C)C
Title of publication	Rh-catalyzed P‒P bond activation
Authors of publication	Geier, Stephen J.; Stephan, Douglas W.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2008
Journal issue	1
Pages of publication	99 - 101
a	10.566 ± 0.003 Å
b	11.676 ± 0.004 Å
c	17.636 ± 0.006 Å
α	102.412 ± 0.004°
β	93.045 ± 0.004°
γ	114.125 ± 0.004°
Cell volume	1914.9 ± 1.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.1233
Weighted residual factors for all reflections included in the refinement	0.1314
Goodness-of-fit parameter for all reflections included in the refinement	0.969
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7102760
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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