Crystallography Open Database

Information card for entry 7113161

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Coordinates	7113161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H61 N2 P2 Rh
Calculated formula	C53 H61 N2 P2 Rh
SMILES	[Rh]12([P]([P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)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	10.8591 ± 0.0011 Å
b	35.296 ± 0.004 Å
c	12.6312 ± 0.0013 Å
α	90°
β	94.769 ± 0.002°
γ	90°
Cell volume	4824.6 ± 0.9 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	5
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	0.0695
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1222
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Duplicate of	7102759
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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