Crystallography Open Database

Information card for entry 4088079

Preview

Coordinates	4088079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H57 Eu N4 O2
Calculated formula	C34 H57 Eu N4 O2
SMILES	[Eu]123456([O]7CCCC7)([n]7n1c(cc7C)C(C)(C)C)([c]1([c]2([c]3([c]5([c]61C)C)C)C)C)([O]1CCCC1)n1[n]4c(cc1C)C(C)(C)C
Title of publication	Ln(II)/Pb(II)‒Ln(III)/Pb(0) Redox Approach toward Rare-Earth-Metal Half-Sandwich Complexes
Authors of publication	Bienfait, André M.; Wolf, Benjamin M.; Törnroos, Karl W.; Anwander, Reiner
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	24
Pages of publication	5734
a	9.8752 ± 0.0011 Å
b	19.575 ± 0.002 Å
c	18.055 ± 0.002 Å
α	90°
β	95.314 ± 0.001°
γ	90°
Cell volume	3475.2 ± 0.7 Å³
Cell temperature	102 ± 2 K
Ambient diffraction temperature	102 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.047
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1058
Weighted residual factors for all reflections included in the refinement	0.1119
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
237248 (current)	2019-11-24	cif/ Adding structures of 4088073, 4088074, 4088075, 4088076, 4088077, 4088078, 4088079, 4088080, 4088081, 4088082, 4088083, 4088084, 4088085, 4088086, 4088087 via cif-deposit CGI script.	4088079.cif