Crystallography Open Database

Information card for entry 7705060

Preview

Coordinates	7705060.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H36 N P
Calculated formula	C31 H36 N P
SMILES	P(=NC12CC3CC(C1)CC(C2)C3)(c1ccccc1)(c1ccccc1)c1c(C)cc(C)cc1C
Title of publication	Heterobimetallic Pd(0) complexes with Pd→Ln (Ln = Sc, Y, Yb, Lu) dative bonds: rare-earth metal-dominated frustrated Lewis pair-like reactivity.
Authors of publication	Du, Jun; Zhang, Yanan; Huang, Zeming; Zhou, Shuangliu; Fang, Huayi; Cui, Peng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	35
Pages of publication	12311 - 12318
a	22.862 ± 0.005 Å
b	9.491 ± 0.002 Å
c	26.992 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	5857 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1496
Residual factor for significantly intense reflections	0.0941
Weighted residual factors for significantly intense reflections	0.1924
Weighted residual factors for all reflections included in the refinement	0.2233
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71076 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
257557 (current)	2020-10-06	cif/ Updating files of 7705051, 7705052, 7705053, 7705054, 7705055, 7705056, 7705057, 7705058, 7705059, 7705060, 7705061 Original log message: Adding full bibliography for 7705051--7705061.cif.	7705060.cif
255152	2020-08-07	cif/ Adding structures of 7705051, 7705052, 7705053, 7705054, 7705055, 7705056, 7705057, 7705058, 7705059, 7705060, 7705061 via cif-deposit CGI script.	7705060.cif