Crystallography Open Database

Information card for entry 4086350

Preview

Coordinates	4086350.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2tBuCN)
Formula	C54 H78 N2 P3 Ru Y
Calculated formula	C54 H78 N2 P3 Ru Y
Title of publication	PNP-Ligated Heterometallic Rare-Earth/Ruthenium Hydride Complexes Bearing Phosphinophenyl and Phosphinomethyl Bridging Ligands
Authors of publication	O, Wylie W. N.; Kang, Xiaohui; Luo, Yi; Hou, Zhaomin
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	4
Pages of publication	1030 - 1043
a	16.3604 ± 0.0011 Å
b	20.4007 ± 0.0014 Å
c	20.7574 ± 0.0014 Å
α	91.061 ± 0.003°
β	110.192 ± 0.002°
γ	93.133 ± 0.003°
Cell volume	6487.4 ± 0.8 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 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	0.0587
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0933
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
170612 (current)	2015-11-29	cif/ Adding structures of 4086342, 4086343, 4086344, 4086345, 4086346, 4086347, 4086348, 4086349, 4086350, 4086351, 4086352, 4086353, 4086354, 4086355 via cif-deposit CGI script.	4086350.cif