Crystallography Open Database

Information card for entry 4344447

Preview

Coordinates	4344447.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39.5 H62 P2 Pt Si
Calculated formula	C39.5 H62 P2 Pt Si
SMILES	[PtH]12[P](C3CCCCC3)(C3CCCCC3)c3ccccc3[Si]2(C)c2ccccc2[P]1(C1CCCCC1)C1CCCCC1.CCCCC
Title of publication	Understanding the Solution and Solid-State Structures of Pd and Pt PSiP Pincer-Supported Hydrides.
Authors of publication	Suh, Hee-Won; Balcells, David; Edwards, Alison J.; Guard, Louise M.; Hazari, Nilay; Mader, Elizabeth A.; Mercado, Brandon Q.; Repisky, Michal
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	23
Pages of publication	11411 - 11422
a	24.4262 ± 0.0005 Å
b	16.3 ± 0.0003 Å
c	39.968 ± 0.003 Å
α	90°
β	105.394 ± 0.007°
γ	90°
Cell volume	15342.2 ± 1.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1087
Residual factor for significantly intense reflections	0.0767
Weighted residual factors for significantly intense reflections	0.1998
Weighted residual factors for all reflections included in the refinement	0.2157
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
190287 (current)	2017-01-09	cif/4: Fixing Z values and formulae	4344447.cif
173573	2016-01-06	cif/ Updating files of 4344446, 4344447, 4344448, 4344449, 4344450, 4344451 Original log message: Adding full bibliography for 4344446--4344451.cif.	4344447.cif
170419	2015-11-20	cif/ Adding structures of 4344446, 4344447, 4344448, 4344449, 4344450, 4344451 via cif-deposit CGI script.	4344447.cif