Crystallography Open Database

Information card for entry 4086181

Preview

Coordinates	4086181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H94 B22 Cl22 F10 O P4 Pt2 Si2
Calculated formula	C80 H94 B22 Cl22 F10 O P4 Pt2 Si2
Title of publication	Silyl‒Silylene Interplay in Cationic PSiP Pincer Complexes of Platinum
Authors of publication	DeMott, Jessica C.; Gu, Weixing; McCulloch, Billy J.; Herbert, David E.; Goshert, Mitchell D.; Walensky, Justin R.; Zhou, Jia; Ozerov, Oleg V.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	16
Pages of publication	3930
a	29.543 ± 0.006 Å
b	16.58 ± 0.003 Å
c	25.06 ± 0.004 Å
α	90°
β	111.822 ± 0.004°
γ	90°
Cell volume	11395 ± 4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	9
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	0.1039
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
154740 (current)	2015-09-06	cif/ Updating files of 4086177, 4086178, 4086179, 4086180, 4086181 Original log message: Adding full bibliography for 4086177--4086181.cif.	4086181.cif
152947	2015-08-06	cif/ Adding structures of 4086177, 4086178, 4086179, 4086180, 4086181 via cif-deposit CGI script.	4086181.cif