Crystallography Open Database

Information card for entry 4088084

Preview

Coordinates	4088084.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H71 Cl4 O3 Sm3
Calculated formula	C43 H71 Cl4 O3 Sm3
SMILES	[Sm]1234567([Cl][Sm]89%10%11%12%13([Cl]3[Sm]3%14%15%16([Cl]2)([Cl]%12)([O]2CCCC2)([CH2]18)[c]1([c]%14(C)[c]%15([c]%16([c]31C)C)C)C)([O]1CCCC1)[c]1([c]9([c]%10([c]%11([c]%131C)C)C)C)C)([O]1CCCC1)[c]1([c]5(C)[c]6([c]7([c]41C)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	12.6202 ± 0.0006 Å
b	19.9665 ± 0.001 Å
c	18.6483 ± 0.001 Å
α	90°
β	91.146 ± 0.001°
γ	90°
Cell volume	4698.1 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 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	0.0325
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0602
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	4088084.cif