Crystallography Open Database

Information card for entry 7043054

Preview

Coordinates	7043054.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H31 Cl5 N2 P Rh
Calculated formula	C33 H31 Cl5 N2 P Rh
SMILES	[Rh]12([P](c3ccccc3)(c3ccccc3)c3ccccc3C[N]1(Cc1[n]2cccc1)Cc1ccccc1)(Cl)(Cl)Cl.C(Cl)Cl
Title of publication	Stereospecific control of the metal-centred chirality of rhodium(III) and iridium(III) complexes bearing tetradentate CNN’P ligands
Authors of publication	Carmona, Daniel; Carmona, María; Rodríguez, Ricardo; Méndez, Isabel; Passarelli, Vincenzo; Lahoz, Fernando J.; García-Orduña, Pilar
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.1484 ± 0.0005 Å
b	10.2653 ± 0.0005 Å
c	17.2027 ± 0.0009 Å
α	94.409 ± 0.001°
β	99.214 ± 0.001°
γ	117.854 ± 0.001°
Cell volume	1540.23 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.0354
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0694
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
196815 (current)	2017-05-20	cif/ Adding structures of 7043052, 7043053, 7043054, 7043055, 7043056, 7043057 via cif-deposit CGI script.	7043054.cif