Crystallography Open Database

Information card for entry 7705421

Preview

Coordinates	7705421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H32 Cu I3 P2
Calculated formula	C44 H32 Cu I3 P2
SMILES	c12c3c(cccc3ccc1)[I][Cu]([P]2(c1ccccc1)c1ccccc1)([P](c1c2c(cccc2ccc1)I)(c1ccccc1)c1ccccc1)I
Title of publication	Cu-Catalyzed P-C bond formation/cleavage: straightforward synthesis/ring-expansion of strained cyclic phosphoniums.
Authors of publication	Duval, Maryne; Blons, Charlie; Mallet-Ladeira, Sonia; Delcroix, Damien; Magna, Lionel; Olivier-Bourbigou, Hélène; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Amgoune, Abderrahmane; Szalóki, György; Bourissou, Didier
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	37
Pages of publication	13100 - 13109
a	10.971 ± 0.002 Å
b	18.18 ± 0.003 Å
c	20.965 ± 0.003 Å
α	90°
β	102.961 ± 0.007°
γ	90°
Cell volume	4075 ± 1.2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0808
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	0.948
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
257506 (current)	2020-10-06	cif/ Updating files of 7705421 Original log message: Adding full bibliography for 7705421.cif.	7705421.cif
256418	2020-09-15	cif/ Adding structures of 7705421 via cif-deposit CGI script.	7705421.cif