Crystallography Open Database

Information card for entry 7026348

Preview

Coordinates	7026348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H136 Ce2 N6 O2 Si12
Calculated formula	C48 H136 Ce2 N6 O2 Si12
SMILES	[Ce]1([O]2[Ce]([O]12)(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([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.CCCCCC.CCC(CC)C
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	16.6202 ± 0.0004 Å
b	16.3746 ± 0.0004 Å
c	29.3114 ± 0.0006 Å
α	90°
β	104.453 ± 0.001°
γ	90°
Cell volume	7724.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0728
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0912
Weighted residual factors for all reflections included in the refinement	0.1025
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
179969 (current)	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.	7026348.cif
93470	2014-01-13	cif/ Adding structures of 7026342, 7026343, 7026344, 7026345, 7026346, 7026347, 7026348, 7026349, 7026350 via cif-deposit CGI script.	7026348.cif