Crystallography Open Database

Information card for entry 1550557

Preview

Coordinates	1550557.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	17076_Complex-1
Chemical name	Lu(iPr2PCH2NPh)3
Formula	C39 H63 Lu N3 P3
Calculated formula	C39 H63 Lu N3 P3
SMILES	[Lu]123([P](CN1c1ccccc1)(C(C)C)C(C)C)([P](CN2c1ccccc1)(C(C)C)C(C)C)[P](CN3c1ccccc1)(C(C)C)C(C)C
Title of publication	Bimetallic nickel-lutetium complexes: Tuning the properties and catalytic hydrogenation activity of the Ni site by varying the Lu coordination environment
Authors of publication	Lu, Connie; Ramirez, Bianca L.; Sharma, Prachi; Eisenhart, Reed; Gagliardi, Laura
Journal of publication	Chemical Science
Year of publication	2019
a	10.6585 ± 0.0003 Å
b	11.7628 ± 0.0004 Å
c	17.3425 ± 0.0006 Å
α	90.309 ± 0.001°
β	91.012 ± 0.001°
γ	112.41 ± 0.001°
Cell volume	2009.6 ± 0.11 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.0511
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
213489 (current)	2019-02-05	cif/ Adding structures of 1550557, 1550558, 1550559, 1550560, 1550561 via cif-deposit CGI script.	1550557.cif