Crystallography Open Database

Information card for entry 7122438

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Coordinates	7122438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H51 B2 N12 O4 P W2
Calculated formula	C45 H51 B2 N12 O4 P W2
Title of publication	Alkynylbis(alkylidynyl)phosphines: {L<sub>n</sub>M[triple bond, length as m-dash]C}<sub>2</sub>PC[triple bond, length as m-dash]CR.
Authors of publication	Frogley, Benjamin J.; Hill, Anthony F.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	87
Pages of publication	12373 - 12376
a	10.7103 ± 0.0008 Å
b	12.8936 ± 0.0005 Å
c	19.5744 ± 0.0008 Å
α	77.598 ± 0.004°
β	78.252 ± 0.005°
γ	70.388 ± 0.005°
Cell volume	2461.3 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0506
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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