Crystallography Open Database

Information card for entry 7003311

Preview

Coordinates	7003311.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H40 Cl N2 O6 Rh
Calculated formula	C31 H40 Cl N2 O6 Rh
SMILES	[Rh]123(Cl)(=C4N(C=CN4Cc4cc(OC)c(OC)c(OC)c4)Cc4cc(OC)c(OC)c(OC)c4)[CH]4=[CH]1CC[CH]2=[CH]3CC4
Title of publication	N-Heterocyclic carbene ligands bearing hydrophilic and/or hydrophobic chains: Rh(i) and Pd(ii) complexes and their catalytic activity
Authors of publication	Ohta, Hidetoshi; Fujihara, Tetsuaki; Tsuji, Yasushi
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	3
Pages of publication	379
a	9.9534 ± 0.0004 Å
b	22.349 ± 0.0009 Å
c	13.4724 ± 0.0006 Å
α	90°
β	96.826 ± 0.003°
γ	90°
Cell volume	2975.7 ± 0.2 Å³
Cell temperature	153.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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