Crystallography Open Database

Information card for entry 4088082

Preview

Coordinates	4088082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H116 Al2 Sm2
Calculated formula	C76 H116 Al2 Sm2
SMILES	[CH3]1[Al](C)(C)[CH3][Sm]23456789([CH3][Al](C)(C)[CH3][Sm]%10%11%12%13%14%15%16%171([c]1([c]%10(C)[c]%17([c]%11([c]%121C)C)C)C)[c]1([c]%13([c]%14([c]%15([c]%161C)C)C)C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C.c1c(cccc1)C.c1cccc(c1)C.c1c(cccc1)C.c1cccc(c1)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	11.1956 ± 0.0015 Å
b	12.6663 ± 0.0016 Å
c	15.014 ± 0.003 Å
α	106.392 ± 0.002°
β	100.659 ± 0.002°
γ	111.773 ± 0.002°
Cell volume	1793.8 ± 0.5 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1264
Weighted residual factors for all reflections included in the refinement	0.1277
Goodness-of-fit parameter for all reflections included in the refinement	1.196
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.	4088082.cif