Crystallography Open Database

Information card for entry 4075599

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Coordinates	4075599.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cp*RhCl2(PTA)
Chemical name	Bischloro-Pentamethylcyclodienyl-1,3,5-Triaza-7-phosphaadamantane- Rhodium(III)
Formula	C16 H27 Cl2 N3 P Rh
Calculated formula	C16 H27 Cl2 N3 P Rh
SMILES	C1N2CN3C[P]1(CN(C2)C3)[Rh]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(Cl)Cl
Title of publication	In Vitro Evaluation of Rhodium and Osmium RAPTA Analogues: The Case for Organometallic Anticancer Drugs Not Based on Ruthenium
Authors of publication	Dorcier, Antoine; Ang, Wee Han; Bolaño, Sandra; Gonsalvi, Luca; Juillerat-Jeannerat, Lucienne; Laurenczy, Gàbor; Peruzzini, Maurizio; Phillips, Andrew D.; Zanobini, Fabrizio; Dyson, Paul J.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	17
Pages of publication	4090
a	8.5 ± 0.003 Å
b	13.382 ± 0.006 Å
c	16.361 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	1861 ± 1.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0223
Residual factor for significantly intense reflections	0.019
Weighted residual factors for significantly intense reflections	0.0472
Weighted residual factors for all reflections included in the refinement	0.048
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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