Crystallography Open Database

Information card for entry 4086037

Preview

Coordinates	4086037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H31 F10 Ir N6 P Pt
Calculated formula	C50 H31 F10 Ir N6 P Pt
Title of publication	C‒C Bond Forming Reductive Elimination from Diarylplatinum Complexes Driven by Visible-Light-Mediated Photoredox Reactions
Authors of publication	Shiba, Yuichiro; Inagaki, Akiko; Akita, Munetaka
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	20
Pages of publication	4844
a	30.124 ± 0.003 Å
b	24.288 ± 0.003 Å
c	17.0643 ± 0.0019 Å
α	90°
β	123.492 ± 0.001°
γ	90°
Cell volume	10412 ± 2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
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	0.0937
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.1833
Goodness-of-fit parameter for all reflections included in the refinement	1.151
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4086037.cif
170103	2015-11-06	cif/ Updating files of 4086037 Original log message: Adding full bibliography for 4086037.cif.	4086037.cif
140981	2015-07-08	cif/ Adding structures of 4086037 via cif-deposit CGI script.	4086037.cif