Crystallography Open Database

Information card for entry 4334362

Preview

Coordinates	4334362.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H68 Al Ce N O7
Calculated formula	C33 H68 Al Ce N O7
SMILES	CC(C)(C)O[Ce]1([O](C(C)(C)C)[Al]([O]1C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)(OC(C)(C)C)[n]1ccccc1
Title of publication	Heterobi- and Trimetallic Cerium(IV) tert-Butoxides with Mono-, Di-, and Trivalent Metals (M= K(I), Ge(II), Sn(II), Pb(II), Al(III), Fe(III))
Authors of publication	Johannes Schläfer; Stefan Stucky; Wieland Tyrra; Sanjay Mathur
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4002 - 4010
a	12.63 ± 0.0004 Å
b	24.4223 ± 0.0005 Å
c	14.5476 ± 0.0005 Å
α	90°
β	114.786 ± 0.002°
γ	90°
Cell volume	4073.9 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179446 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/43.	4334362.cif
100180	2014-02-04	cif/ Adding structures of 4334362 via cif-deposit CGI script.	4334362.cif