Crystallography Open Database

Information card for entry 7714106

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Coordinates	7714106.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H56 N4 P2
Calculated formula	C42 H56 N4 P2
Title of publication	Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts
Authors of publication	Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian
Journal of publication	Dalton Transactions
Year of publication	2023
a	10.9493 ± 0.0003 Å
b	11.5418 ± 0.0003 Å
c	15.7607 ± 0.0004 Å
α	81.376 ± 0.001°
β	80.223 ± 0.001°
γ	85.766 ± 0.001°
Cell volume	1938.24 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.1101
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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