Crystallography Open Database

Information card for entry 7705889

Preview

Coordinates	7705889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30.33333 H30.66667 Cl1.66667 N4 Rh
Calculated formula	C30.3333 H30.6667 Cl1.66667 N4 Rh
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Rh]12345(=C2N(c3ccccc3)C(=NN2c2ccccc12)Nc1ccccc1)Cl)C)C)C)C.C(Cl)Cl
Title of publication	C-C coupling formation using nitron complexes.
Authors of publication	Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	46
Pages of publication	16903 - 16915
a	13.6235 ± 0.001 Å
b	15.9331 ± 0.0013 Å
c	21.356 ± 0.0018 Å
α	69.077 ± 0.003°
β	83.636 ± 0.004°
γ	88.592 ± 0.003°
Cell volume	4302.7 ± 0.6 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.1555
Residual factor for significantly intense reflections	0.1
Weighted residual factors for significantly intense reflections	0.2201
Weighted residual factors for all reflections included in the refinement	0.2431
Goodness-of-fit parameter for all reflections included in the refinement	1.127
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
295359 (current)	2024-10-08	cif/7: Fixing Z values and formulae	7705889.cif
259697	2020-12-09	cif/ Adding structures of 7705886, 7705887, 7705888, 7705889, 7705890 via cif-deposit CGI script.	7705889.cif