Crystallography Open Database

Information card for entry 7717326

Preview

Coordinates	7717326.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	JH-13
Formula	C33 H19 F6 Mo O6 P
Calculated formula	C33 H19 F6 Mo O6 P
Title of publication	Oxaphosphiranes: isolable phosphorus-containing epoxide rings
Authors of publication	Volk, Niklas; García Alcaraz, Antonio; Balasubramaniam, Selvakumar; Heumann, Jannik; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, R.
Journal of publication	Dalton Transactions
Year of publication	2024
a	14.3716 ± 0.0011 Å
b	16.5888 ± 0.001 Å
c	14.719 ± 0.0012 Å
α	90°
β	117.34 ± 0.006°
γ	90°
Cell volume	3117.1 ± 0.4 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.1269
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	0.926
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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