Crystallography Open Database

Information card for entry 7238441

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Coordinates	7238441.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H42 Cl N2 O P2 Rh
Calculated formula	C53 H42 Cl N2 O P2 Rh
Title of publication	C(naphthyl)‒H bond activation by rhodium: isolation, characterization and TD-DFT study of the cyclometallates
Authors of publication	Narayan Biswas, Achintesh; Das, Purak; Sengupta, Sandip; Choudhury, Amitava; Bandyopadhyay, Pinaki
Journal of publication	RSC Advances
Year of publication	2011
Journal volume	1
Journal issue	7
Pages of publication	1279
a	11.8442 ± 0.0002 Å
b	11.9633 ± 0.0003 Å
c	17.3738 ± 0.0004 Å
α	72.165 ± 0.001°
β	70.511 ± 0.001°
γ	79.475 ± 0.001°
Cell volume	2200.31 ± 0.09 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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