Crystallography Open Database

Information card for entry 7039919

Preview

Coordinates	7039919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H32 Cu2 I2 N4 O P2
Calculated formula	C32 H32 Cu2 I2 N4 O P2
SMILES	c1(ccccc1)[P]1(c2ccccc2)O[P](c2ccccc2)(c2ccccc2)[Cu]23([I][Cu]12([N]#CC)[I]3)[N]#CC.N#CC.N#CC
Title of publication	Complexes of the tripodal phosphine ligands PhSi(XPPh2)3 (X = CH2, O): synthesis, structure and catalytic activity in the hydroboration of CO2.
Authors of publication	Aloisi, Alicia; Berthet, Jean-Claude; Genre, Caroline; Thuéry, Pierre; Cantat, Thibault
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	37
Pages of publication	14774 - 14788
a	22.3076 ± 0.001 Å
b	8.4153 ± 0.0003 Å
c	21.183 ± 0.001 Å
α	90°
β	118.621 ± 0.002°
γ	90°
Cell volume	3490.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0859
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
187137 (current)	2016-10-08	cif/ Updating files of 7039913, 7039914, 7039915, 7039916, 7039917, 7039918, 7039919, 7039920 Original log message: Adding full bibliography for 7039913--7039920.cif.	7039919.cif
184493	2016-07-16	cif/ Adding structures of 7039913, 7039914, 7039915, 7039916, 7039917, 7039918, 7039919, 7039920 via cif-deposit CGI script.	7039919.cif