Crystallography Open Database

Information card for entry 7053489

Preview

Coordinates	7053489.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H62 Li4 N4 O7 Si
Calculated formula	C34 H62 Li4 N4 O7 Si
SMILES	[Si]1([O]23[Li]4([O](C5=CCCCN15)C)[O](C1=CCCC[N]51[Li]1[N]6(CCCC=C6[O](C)[Li]25[O]2CCCC2)[Li]3([O](C2=CCCC[N]412)C)[O]1CCCC1)C)(C)C
Title of publication	Homo- and heteroanionic alkali metal aza-enolate aggregates derived from o-methylvalerolactim ether
Authors of publication	Andrews, Philip C.; Bull, Steven D.; Koutsaplis, Magdaline
Journal of publication	New Journal of Chemistry
Year of publication	2010
Journal volume	34
Journal issue	8
Pages of publication	1678
a	10.2332 ± 0.0002 Å
b	11.2688 ± 0.0002 Å
c	17.574 ± 0.0004 Å
α	88.139 ± 0.001°
β	89.748 ± 0.001°
γ	77.463 ± 0.001°
Cell volume	1977.19 ± 0.07 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 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	0.0855
Residual factor for significantly intense reflections	0.0591
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.156
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
180088 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/34.	7053489.cif
93701	2014-01-13	cif/ Adding structures of 7053489, 7053490, 7053491, 7053492, 7053493, 7053494 via cif-deposit CGI script.	7053489.cif