Crystallography Open Database

Information card for entry 7021992

7021991 << 7021992 >> 7021993

Preview

Coordinates	7021992.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H40 N4 O4 Si2 Zn
Calculated formula	C26 H40 N4 O4 Si2 Zn
SMILES	[Zn]12([O]=c3n(C2(n2c(=O)cccc2)n2ccccc2=[O]1)cccc3)N([Si](C)(C)C)[Si](C)(C)C.O(CC)CC
Title of publication	Synthesis and structural characterization of tris(2-pyridonyl)methyl complexes of zinc and thallium: a new class of metallacarbatranes and a monovalent thallium alkyl compound.
Authors of publication	Al-Harbi, Ahmed; Rong, Yi; Parkin, Gerard
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	39
Pages of publication	14053 - 14057
a	10.347 ± 0.003 Å
b	10.513 ± 0.003 Å
c	15.117 ± 0.005 Å
α	102.776 ± 0.005°
β	105.658 ± 0.005°
γ	97.886 ± 0.005°
Cell volume	1509.9 ± 0.8 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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 all reflections	0.1087
Residual factor for significantly intense reflections	0.0508
Weighted residual factors for significantly intense reflections	0.0768
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
179924 (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 7/02/19.	7021992.cif
88918	2013-10-09	cif/ Adding structures of 7021988, 7021989, 7021990, 7021991, 7021992, 7021993, 7021994 via cif-deposit CGI script.	7021992.cif