Crystallography Open Database

Information card for entry 7248549

Preview

Coordinates	7248549.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	pent-3-yn-1-yltriphenylphosphonium iodide
Formula	C23 H22 I P
Calculated formula	C23 H22 I P
SMILES	[P+](CCC#CC)(c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
Title of publication	Mechanistic study of the atomic layer deposition of cobalt: a combined mass spectrometric and computational approach.
Authors of publication	Donnecke, Sofia; Paul, Mathias; Williams, Peter J. H.; Chan, Serena; Tse, Veronica; Sachdeva, Jigyasa; Oliver, Allen G.; McIndoe, J. Scott; Paci, Irina
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2024
Journal volume	26
Journal issue	19
Pages of publication	14448 - 14455
a	10.606 ± 0.01 Å
b	18.313 ± 0.016 Å
c	10.75 ± 0.01 Å
α	90°
β	106.717 ± 0.012°
γ	90°
Cell volume	2000 ± 3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0293
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.046
Weighted residual factors for all reflections included in the refinement	0.0486
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
293290 (current)	2024-07-05	cif/ Updating files of 7248549, 7248550 Original log message: Adding full bibliography for 7248549--7248550.cif.	7248549.cif
291402	2024-04-28	cif/ Adding structures of 7248549, 7248550 via cif-deposit CGI script.	7248549.cif