Crystallography Open Database

Information card for entry 7111223

Preview

Coordinates	7111223.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H44 Al2 N4 P2
Calculated formula	C15.99 H44 Al2 N4 P2
Title of publication	Synthesis and single crystal X-ray structure of the first imido analog of an eight-membered aluminophosphinate heterocycleElectronic supplementary data (ESI) available: preparation and spectroscopic data of 1, crystallographic data of 1, xyz-coordinates and absolute energies of all computed species. See http://www.rsc.org/suppdata/cc/b2/b203590a/
Authors of publication	Bauer, Tillmann; Schulz, Stephan; Nieger, Martin; Krossing, Ingo
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	13
Pages of publication	1422
a	11.5332 ± 0.0006 Å
b	9.4303 ± 0.0005 Å
c	12.283 ± 0.0008 Å
α	90°
β	109.501 ± 0.002°
γ	90°
Cell volume	1259.28 ± 0.13 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
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	0.0486
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0908
Weighted residual factors for all reflections included in the refinement	0.0954
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180226 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/12.	7111223.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	7111223.cif
96364	2014-01-29	cif/ Adding structures of 7111223 via cif-deposit CGI script.	7111223.cif