Crystallography Open Database

Information card for entry 4319595

4319594 << 4319595 >> 4319596

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Coordinates	4319595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H47 N4 Rh
Calculated formula	C56 H33 N4 Rh
SMILES	[Rh]123(n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1)c1ccccc1.CCCCCC
Title of publication	Aromatic and Benzylic C-H Bond Activation in the System Bis(dicarbonylrhodium(I))- porphyrinate-Hydrocarbon Solvent
Authors of publication	James P. Collman; Roman Boulatov
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	2461 - 2464
a	12.1483 ± 0.0003 Å
b	12.5044 ± 0.0003 Å
c	16.7334 ± 0.0004 Å
α	91.356 ± 0.001°
β	110.979 ± 0.001°
γ	114.425 ± 0.001°
Cell volume	2116.47 ± 0.09 Å³
Cell temperature	273.2 K
Ambient diffraction temperature	124 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0856
Weighted residual factors for all reflections	0.135
Goodness-of-fit parameter for all reflections	1.862
Goodness-of-fit parameter for all reflections included in the refinement	1.86
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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