Crystallography Open Database

Information card for entry 7113351

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Coordinates	7113351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H54 Cl3 N2 O4 Rh
Calculated formula	C54 H52 Cl3 N2 O4 Rh
SMILES	[Rh]123(Cl)(=C4N(C=CN4Cc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)Cc4cc(OCc5ccccc5)cc(OCc5ccccc5)c4)[CH]4=[CH]1CC[CH]2=[CH]3CC4.ClCCl
Title of publication	Dendrimer N-heterocyclic carbene complexes with rhodium(I) at the core.
Authors of publication	Fujihara, Tetsuaki; Obora, Yasushi; Tokunaga, Makoto; Sato, Hiromichi; Tsuji, Yasushi
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2005
Journal issue	36
Pages of publication	4526 - 4528
a	10.936 ± 0.008 Å
b	12.458 ± 0.009 Å
c	17.56 ± 0.01 Å
α	98.94 ± 0.02°
β	101.48 ± 0.01°
γ	91.966 ± 0.011°
Cell volume	2311 ± 3 Å³
Cell temperature	113.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.062
Weighted residual factors for all reflections included in the refinement	0.159
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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