Crystallography Open Database

Information card for entry 7122431

Preview

Coordinates	7122431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H45 B2 N12 O4 P W2
Calculated formula	C38 H45 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	15.285 ± 0.0006 Å
b	10.7644 ± 0.0005 Å
c	27.3927 ± 0.001 Å
α	90°
β	93.766 ± 0.004°
γ	90°
Cell volume	4497.3 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.043
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228611 (current)	2019-11-17	cif/ Updating files of 7122430, 7122431, 7122432, 7122433, 7122434, 7122435, 7122436, 7122437, 7122438, 7122439, 7122440 Original log message: Adding full bibliography for 7122430--7122440.cif.	7122431.cif
211420	2018-10-13	cif/ Adding structures of 7122430, 7122431, 7122432, 7122433, 7122434, 7122435, 7122436, 7122437, 7122438, 7122439, 7122440 via cif-deposit CGI script.	7122431.cif