Crystallography Open Database

Information card for entry 4060552

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Coordinates	4060552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H54 N5 Rh
Calculated formula	C64 H54 N5 Rh
SMILES	[Rh]123(CCN(Cc4ccccc4)Cc4ccccc4)[N]4=C5C(=C6C=CC(=C(C7C=CC(=C(C8=CC=C(C(=C4C=C5)c4ccc(cc4)C)N18)c1ccc(cc1)C)[N]2=7)c1ccc(cc1)C)N36)c1ccc(cc1)C
Title of publication	1,2-Rearrangements of β-Nitrogen-Substituted (Porphyrinato)rhodium(III) Ethyls
Authors of publication	Yeung, Siu Kwan; Chan, Kin Shing
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	11
Pages of publication	2561 - 2563
a	13.838 ± 0.003 Å
b	27.97 ± 0.006 Å
c	15.52 ± 0.003 Å
α	90°
β	96.2 ± 0.03°
γ	90°
Cell volume	5972 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1063
Residual factor for significantly intense reflections	0.0827
Weighted residual factors for significantly intense reflections	0.219
Weighted residual factors for all reflections included in the refinement	0.2377
Goodness-of-fit parameter for all reflections included in the refinement	1.176
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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