Crystallography Open Database

Information card for entry 7707955

Preview

Coordinates	7707955.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Pr(Ph-PDB)3(THF)3
Chemical name	Nd(BH3Ph2BH3)3(THF)3
Formula	C48 H72 B6 Nd O3 P3
Calculated formula	C48 H72 B6 Nd O3 P3
Title of publication	Mechanochemical synthesis and structural analysis of trivalent lanthanide and uranium diphenylphosphinodiboranates.
Authors of publication	Fetrow, Taylor V.; Daly, Scott R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	33
Pages of publication	11472 - 11484
a	11.5469 ± 0.0019 Å
b	14.97 ± 0.003 Å
c	17.592 ± 0.003 Å
α	97.233 ± 0.005°
β	96.868 ± 0.005°
γ	111.125 ± 0.005°
Cell volume	2768.9 ± 0.9 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1038
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1452
Weighted residual factors for all reflections included in the refinement	0.1634
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268752 (current)	2021-09-06	cif/ Updating files of 7707952, 7707953, 7707954, 7707955, 7707956, 7707957, 7707958 Original log message: Adding full bibliography for 7707952--7707958.cif.	7707955.cif
267955	2021-08-05	cif/ Adding structures of 7707952, 7707953, 7707954, 7707955, 7707956, 7707957, 7707958 via cif-deposit CGI script.	7707955.cif