Crystallography Open Database

Information card for entry 4336720

Preview

Coordinates	4336720.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H34 N3 O5 Rh
Calculated formula	C40 H34 N3 O5 Rh
SMILES	[Rh]1(n2c(N=c3[n]1c(cc3c1ccccc1)c1ccc(OC)cc1)c(c1ccccc1)cc2c1ccc(cc1)OC)(C#[O])C#[O].C1COCC1
Title of publication	Azadipyrromethene Complexes of d8 Metal Centers: Rhodium(I), Iridium(I), Palladium(II), and Platinum(II)
Authors of publication	Nihal Deligonul; Thomas G. Gray
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	13048 - 13057
a	10.6228 ± 0.001 Å
b	14.9067 ± 0.0014 Å
c	21.35 ± 0.002 Å
α	92.276 ± 0.001°
β	95.602 ± 0.001°
γ	98.423 ± 0.001°
Cell volume	3323.3 ± 0.5 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.053
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1323
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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