Crystallography Open Database

Information card for entry 7026347

Preview

Coordinates	7026347.cif
Original paper (by DOI)	HTML
External links	PubChem

Structure parameters

Formula	C72 H208 Ce4 K2 N10 O4 Si20
Calculated formula	C72 H208 Ce4 K2 N10 O4 Si20
SMILES	[K]12[O]([Ce](O[Ce](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)([N]1([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)[K]1[O]2[Ce](O[Ce](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)([N]1([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.CCCCCC.CCCCCC
Title of publication	Crystalline amidocerium(IV) oxides and a side-on bridging dioxygen complex.
Authors of publication	Coles, Martyn P.; Hitchcock, Peter B.; Khvostov, Alexei V.; Lappert, Michael F.; Li, Zhengning; Protchenko, Andrey V.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	29
Pages of publication	6780 - 6788
a	15.0329 ± 0.0003 Å
b	15.0799 ± 0.0002 Å
c	16.511 ± 0.0002 Å
α	65.813 ± 0.001°
β	71.175 ± 0.001°
γ	81.622 ± 0.001°
Cell volume	3231.34 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0305
Weighted residual factors for significantly intense reflections	0.0718
Weighted residual factors for all reflections included in the refinement	0.0753
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
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
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7026347.cif
179969	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/63.	7026347.cif
93470	2014-01-13	cif/ Adding structures of 7026342, 7026343, 7026344, 7026345, 7026346, 7026347, 7026348, 7026349, 7026350 via cif-deposit CGI script.	7026347.cif