Crystallography Open Database

Information card for entry 7027978

Preview

Coordinates	7027978.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 Ce F36 N6 O6
Calculated formula	C36 H52 Ce F36 N6 O6
SMILES	C(O[Ce](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.[NH+](CCN(CCN(C)C)C)(C)C.[NH+](CCN(CCN(C)C)C)(C)C
Title of publication	Synthesis and characterization of volatile cerium(IV) hexafluoroisopropoxide complexes. Structure of [Hpmdien]2[Ce{OCH(CF3)2}6]
Authors of publication	Hubert-Pfalzgraf, Liliane G.; Abada, Valérie; Vaissermann, Jacqueline
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1998
Journal issue	20
Pages of publication	3437
a	10.421 ± 0.004 Å
b	11.709 ± 0.003 Å
c	13.101 ± 0.007 Å
α	71.34 ± 0.03°
β	83.98 ± 0.04°
γ	77.03 ± 0.03°
Cell volume	1475 ± 1.1 Å³
Cell temperature	177 K
Ambient diffraction temperature	177 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.0597
Goodness-of-fit parameter for significantly intense reflections	1.1355
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7027978.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7027978.cif
96794	2014-01-29	cif/ Adding structures of 7027978 via cif-deposit CGI script.	7027978.cif