Crystallography Open Database

Information card for entry 4334364

Preview

Coordinates	4334364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H54 Ce Ge Mo O11
Calculated formula	C29 H54 Ce Ge Mo O11
SMILES	[Ce]12([O](C(C)(C)C)[Ge]([Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])([O]1C(C)(C)C)[O]2C(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	19.762 ± 0.005 Å
b	10.172 ± 0.005 Å
c	20.194 ± 0.005 Å
α	90°
β	103.3 ± 0.005°
γ	90°
Cell volume	3951 ± 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	0.0418
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0936
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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.	4334364.cif
100182	2014-02-04	cif/ Adding structures of 4334364 via cif-deposit CGI script.	4334364.cif