Crystallography Open Database

Information card for entry 4130300

Preview

Coordinates	4130300.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Cu(dmp)(PPh2Pr)2(PF6)]
Formula	C44 H46 Cu F6 N2 P3
Calculated formula	C44 H46 Cu F6 N2 P3
SMILES	c1(ccc2ccc3ccc(C)[n]4c3c2[n]1[Cu]4([P](c1ccccc1)(c1ccccc1)CCC)[P](CCC)(c1ccccc1)c1ccccc1)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Photocatalytic CO2 Reduction Using Cu(I) Photosensitizers with a Fe(II) Catalyst.
Authors of publication	Takeda, Hiroyuki; Ohashi, Kenji; Sekine, Akiko; Ishitani, Osamu
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	13
Pages of publication	4354 - 4357
a	9.6839 ± 0.00018 Å
b	15.3663 ± 0.0003 Å
c	27.7105 ± 0.0005 Å
α	90°
β	96.276 ± 0.0007°
γ	90°
Cell volume	4098.77 ± 0.13 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0811
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
240781 (current)	2019-11-25	cif/ Adding structures of 4130299, 4130300 via cif-deposit CGI script.	4130300.cif