Crystallography Open Database

Information card for entry 4086353

Preview

Coordinates	4086353.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PNP(iPr)Y(H)2Ru(C5Me5)PPh2(CH2tBuNC)
Formula	C54 H78 N2 P3 Ru Y
Calculated formula	C54 H78 N2 P3 Ru Y
SMILES	C1C2=[N](C(C)(C)C)[Y]342(N(c2ccc(cc2[P]3(C(C)C)C(C)C)C)c2c(cc(cc2)C)[P]4(C(C)C)C(C)C)[RuH2]2345([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)[P]1(c1ccccc1)c1ccccc1
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	12.5301 ± 0.0012 Å
b	14.5762 ± 0.0015 Å
c	15.3222 ± 0.0014 Å
α	94.799 ± 0.005°
β	95.935 ± 0.004°
γ	99.34 ± 0.005°
Cell volume	2732.1 ± 0.5 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	0.1496
Residual factor for significantly intense reflections	0.0641
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1449
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
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.	4086353.cif