Crystallography Open Database

Information card for entry 1573527

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Coordinates	1573527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 Cl2 O2 P S
Calculated formula	C16 H21 Cl2 O2 P S
Title of publication	Sulfur functionalized diamondoid phosphines enable building nanocomposites interfacing sp3-carbon and gold nanolayer
Authors of publication	Bouzid, Moad; Hierso, Jean-Cyrille; Mboyi, Clève D.; Poinsot, Didier; Domenichini, Bruno; Schreiner, Peter Richard; Ochmann, Lukas
Journal of publication	Nanoscale
Year of publication	2025
a	6.6911 ± 0.0002 Å
b	21.7491 ± 0.0008 Å
c	12.1069 ± 0.0005 Å
α	90°
β	103.068 ± 0.002°
γ	90°
Cell volume	1716.23 ± 0.11 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	0.0556
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα~1~
Diffraction radiation X-ray symbol	K-L~3~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296954 (current)	2024-12-24	cif/ Adding structures of 1573527, 1573528 via cif-deposit CGI script.	1573527.cif