Crystallography Open Database

Information card for entry 4336716

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Structure parameters

Formula	C40 H34 N3 Rh
Calculated formula	C40 H34 N3 Rh
SMILES	[Rh]1234([n]5c(=Nc6n1c(c1ccccc1)cc6c1ccccc1)c(c1ccccc1)cc5c1ccccc1)[CH]1=[CH]2CC[CH]4=[CH]3CC1
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	12.6175 ± 0.0014 Å
b	10.633 ± 0.0012 Å
c	22.807 ± 0.003 Å
α	90°
β	93.803 ± 0.001°
γ	90°
Cell volume	3053.1 ± 0.6 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 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	0.0455
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1381
Weighted residual factors for all reflections included in the refinement	0.1477
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4336716.cif
179470	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/67.	4336716.cif
102733	2014-02-22	cif/ Adding structures of 4336716 via cif-deposit CGI script.	4336716.cif