Crystallography Open Database

Information card for entry 7127620

Preview

Coordinates	7127620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 Cl4 N2 Pt
Calculated formula	C30 H36 Cl4 N2 Pt
SMILES	[Pt]12([n]3c(c4[n]1c(cc(c4)C(C)(C)C)C1CCCC1)cc(cc3c1c2cccc1)C(C)(C)C)Cl.ClC(Cl)Cl
Title of publication	Access to functionalized luminescent Pt(ii) complexes by photoredox-catalyzed Minisci alkylation of 6-aryl-2,2'-bipyridines.
Authors of publication	Hagui, Wided; Cordier, Marie; Boixel, Julien; Soulé, Jean-François
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	8
Pages of publication	1038 - 1041
a	9.6777 ± 0.0015 Å
b	11.9462 ± 0.0017 Å
c	14.685 ± 0.002 Å
α	109.811 ± 0.005°
β	103.891 ± 0.006°
γ	102.273 ± 0.005°
Cell volume	1468.1 ± 0.4 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0335
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0744
Weighted residual factors for all reflections included in the refinement	0.0776
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

Version history

Revision	Date	Message	Files
261528 (current)	2021-02-05	cif/ Updating files of 7127620, 7127621, 7127622, 7127623, 7127624, 7127625, 7127626 Original log message: Adding full bibliography for 7127620--7127626.cif.	7127620.cif
259969	2020-12-19	cif/ Adding structures of 7127620, 7127621, 7127622, 7127623, 7127624, 7127625, 7127626 via cif-deposit CGI script.	7127620.cif