Crystallography Open Database

Information card for entry 4086309

Preview

Coordinates	4086309.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H32 Cl N2 Rh
Calculated formula	C28 H32 Cl N2 Rh
SMILES	c12cc(C#N)ccc1C=[N](c1ccc(C(C)(C)C)cc1)[Rh]13452([c]2([c]5([c]4([c]3([c]12C)C)C)C)C)Cl
Title of publication	Synthesis, Structure, DNA/Protein Binding, and Anticancer Activity of Some Half-Sandwich Cyclometalated Rh(III) and Ir(III) Complexes
Authors of publication	Mukhopadhyay, Sujay; Gupta, Rakesh Kumar; Paitandi, Rajendra Prasad; Rana, Nishant Kumar; Sharma, Gunjan; Koch, Biplob; Rana, Love Karan; Hundal, Maninder Singh; Pandey, Daya Shankar
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	18
Pages of publication	4491
a	8.3652 ± 0.0002 Å
b	11.7625 ± 0.0003 Å
c	13.7771 ± 0.0004 Å
α	100.123 ± 0.001°
β	99.718 ± 0.0011°
γ	98.578 ± 0.001°
Cell volume	1292.82 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0359
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0795
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
160443 (current)	2015-10-06	cif/ Adding structures of 4086307, 4086308, 4086309 via cif-deposit CGI script.	4086309.cif