Crystallography Open Database

Information card for entry 7705051

Preview

Coordinates	7705051.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H75 N3 P3 Sc
Calculated formula	C66 H75 N3 P3 Sc
SMILES	[Sc]123([P](N1C14CC5CC(C1)CC(C4)C5)(c1ccccc1)c1ccccc1)([P](N2C12CC4CC(C1)CC(C2)C4)(c1ccccc1)c1ccccc1)[P](N3C12CC3CC(C1)CC(C2)C3)(c1ccccc1)c1ccccc1
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	23.373 ± 0.005 Å
b	13.307 ± 0.003 Å
c	20.286 ± 0.004 Å
α	90°
β	96.19 ± 0.03°
γ	90°
Cell volume	6273 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0679
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1681
Weighted residual factors for all reflections included in the refinement	0.1728
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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.	7705051.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.	7705051.cif