Crystallography Open Database

Information card for entry 1576209

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Coordinates	1576209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H128 Li4 N4 O7 P2
Calculated formula	C86 H128 Li4 N4 O7 P2
Title of publication	Photochemical Activation of Pincer-Ligated Phosphoranides: Mechanistic Insight for Reduction of Aryl Halides
Authors of publication	Escoudé, Emile; Pedrón, Manuel; Bourqui, Lilian; Gontard, Geoffrey; Vitale, Maxime R.; Ciofini, Ilaria; Lakhdar, Sami; Grimaud, Laurence
Journal of publication	Chemical Science
Year of publication	2025
a	12.2271 ± 0.0004 Å
b	19.3733 ± 0.0008 Å
c	19.2094 ± 0.0008 Å
α	90°
β	96.632 ± 0.003°
γ	90°
Cell volume	4519.9 ± 0.3 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	6
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	0.1594
Residual factor for significantly intense reflections	0.1013
Weighted residual factors for significantly intense reflections	0.2819
Weighted residual factors for all reflections included in the refinement	0.3322
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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