Crystallography Open Database

Information card for entry 7709340

Preview

Coordinates	7709340.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cyano(triphenylsilyl)phosphanido[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]copper(I)
Formula	C46 H51 Cu N3 P Si
Calculated formula	C46 H51 Cu N3 P Si
SMILES	[Cu](P([Si](c1ccccc1)(c1ccccc1)c1ccccc1)C#N)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
Title of publication	Simple conversion of trisodium phosphide, Na3P, into silyl- and cyanophosphides and structure of a terminal silver phosphide
Authors of publication	Grützmacher, Hansjörg; Le Corre, Grégoire
Journal of publication	Dalton Transactions
Year of publication	2022
a	21.5909 ± 0.0006 Å
b	10.7125 ± 0.0003 Å
c	18.4005 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4255.9 ± 0.19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0311
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.05
Weighted residual factors for all reflections included in the refinement	0.0547
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298328 (current)	2025-03-07	cif/7: Fixing Z values and formulae	7709340.cif
272145	2022-01-20	cif/ Adding structures of 7709334, 7709335, 7709336, 7709337, 7709338, 7709339, 7709340 via cif-deposit CGI script.	7709340.cif