Crystallography Open Database

Information card for entry 4334359

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Structure parameters

Formula	C44 H97 Ce2 K O11
Calculated formula	C44 H97 Ce2 K O11
SMILES	[Ce]123([O]4(C(C)(C)C)[Ce]5([O]1(C(C)(C)C)[K]4([O]2C(C)(C)C)([O]5C(C)(C)C)([O]1CCCC1)[O]1CCCC1)([O]3C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C
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	17.0121 ± 0.0004 Å
b	18.0594 ± 0.0004 Å
c	19.6945 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6050.7 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P c 21 b
Hall space group symbol	P -2bc -2c
Residual factor for all reflections	0.0566
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1242
Weighted residual factors for all reflections included in the refinement	0.1318
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4334359.cif
179446	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.	4334359.cif
100177	2014-02-04	cif/ Adding structures of 4334359 via cif-deposit CGI script.	4334359.cif