Crystallography Open Database

Information card for entry 1549296

Preview

Coordinates	1549296.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cp"2Th(IV)AlanateChloride
Chemical name	Cp"2Th(IV)AlanateChloride
Formula	C36 H72 Al Cl Si3 Th
Calculated formula	C36 H72 Al Cl Si3 Th
SMILES	C([Si](C)(C)C)([AlH]1[H][Th]23456789([c]%10(C(C)(C)C)[cH]2[cH]3[c]4([cH]5%10)C(C)(C)C)([c]2(C(C)(C)C)[cH]6[cH]7[c]8([cH]92)C(C)(C)C)(Cl)[H]1)([Si](C)(C)C)[Si](C)(C)C
Title of publication	Chemical structure and bonding in a thorium(iii)-aluminum heterobimetallic complex.
Authors of publication	Altman, Alison B.; Brown, Alexandra C.; Rao, Guodong; Lohrey, Trevor D.; Britt, R. David; Maron, Laurent; Minasian, Stefan G.; Shuh, David K.; Arnold, John
Journal of publication	Chemical science
Year of publication	2018
Journal volume	9
Journal issue	18
Pages of publication	4317 - 4324
a	14.6013 ± 0.001 Å
b	16.3421 ± 0.001 Å
c	18.0401 ± 0.0011 Å
α	90°
β	93.323 ± 0.003°
γ	90°
Cell volume	4297.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.029
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.142
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228824 (current)	2019-11-17	cif/ Updating files of 1549296, 1549297, 1549298, 1549299 Original log message: Adding full bibliography for 1549296--1549299.cif.	1549296.cif
207449	2018-04-24	cif/ Adding structures of 1549296, 1549297, 1549298, 1549299 via cif-deposit CGI script.	1549296.cif