Crystallography Open Database

Information card for entry 4135399

Preview

Coordinates	4135399.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H72 As2 Cl2 N14 Pt2
Calculated formula	C71 H72 As2 Cl2 N14 Pt2
Title of publication	Compensation of Hybridization Defects in Phosphorescent Complexes with Pnictogen-Based Ligands-A Structural, Photophysical, and Theoretical Case-Study with Predictive Character.
Authors of publication	Gangadharappa, Sathish Chatnahalli; Maisuls, Iván; Schwab, Dominik A.; Kösters, Jutta; Doltsinis, Nikos L.; Strassert, Cristian A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	51
Pages of publication	21353 - 21367
a	26.3591 ± 0.0005 Å
b	15.2165 ± 0.0003 Å
c	19.67 ± 0.0007 Å
α	90°
β	118.351 ± 0.001°
γ	90°
Cell volume	6943.2 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0689
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
260423 (current)	2021-01-04	cif/ Updating files of 4135398, 4135399, 4135400, 4135401, 4135402 Original log message: Adding full bibliography for 4135398--4135402.cif.	4135399.cif
259899	2020-12-16	cif/ Adding structures of 4135399 via cif-deposit CGI script.	4135399.cif