Crystallography Open Database

Information card for entry 4088053

Preview

Coordinates	4088053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H69 N3 P4 Yb
Calculated formula	C66 H69 N3 P4 Yb
SMILES	[Yb]123456789([p]%10[c]2([c]3([c]4([c]5%10C)C)C)C)([p]2[c]6([c]7([c]8([c]92C)C)C)C)[N](=P(c2ccccc2)(c2ccccc2)c2ccccc2)Cc2[n]1c(ccc2)CN=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1C
Title of publication	η5‒η1Switch in Divalent Phosphaytterbocene Complexes with Neutral Iminophosphoranyl Pincer Ligands: Solid-State Structures and Solution NMR1JYb‒PCoupling Constants
Authors of publication	Cheisson, Thibault; Auffrant, Audrey; Nocton, Grégory
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	22
Pages of publication	5470
a	12.915 ± 0.001 Å
b	15.754 ± 0.001 Å
c	16.175 ± 0.001 Å
α	102.862 ± 0.001°
β	110.668 ± 0.001°
γ	100.684 ± 0.001°
Cell volume	2873.5 ± 0.3 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237231 (current)	2019-11-24	cif/ Adding structures of 4088047, 4088048, 4088049, 4088050, 4088051, 4088052, 4088053, 4088054 via cif-deposit CGI script.	4088053.cif