Crystallography Open Database

Information card for entry 1518612

Preview

Coordinates	1518612.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H36 F2 N P Pt
Calculated formula	C27 H36 F2 N P Pt
SMILES	[Pt]1([P](Cc2c1cccc2)(C(C)(C)C)C(C)(C)C)(F)(F)([n]1ccccc1)c1c(cccc1)C
Title of publication	Electrophilic halogenation-reductive elimination chemistry of organopalladium and -platinum complexes.
Authors of publication	Vigalok, Arkadi
Journal of publication	Accounts of chemical research
Year of publication	2015
Journal volume	48
Journal issue	2
Pages of publication	238 - 247
a	8.7261 ± 0.0001 Å
b	31.0122 ± 0.0006 Å
c	9.6085 ± 0.0001 Å
α	90°
β	111.319 ± 0.0014°
γ	90°
Cell volume	2422.29 ± 0.06 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0615
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.095
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1518612.cif
132751	2015-03-04	cif/ Updating files of 1518612 Original log message: Adding full bibliography for 1518612.cif.	1518612.cif
130347	2015-02-04	cif/ Adding structures of 1518612 via cif-deposit CGI script.	1518612.cif