Crystallography Open Database

Information card for entry 4077479

Preview

Coordinates	4077479.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(dicyclohexylamino)phosphoranimin-N-tris(tert.butyl)alane
Formula	C36 H73 Al N3 P
Calculated formula	C36 H73 Al N3 P
SMILES	P(=[NH][Al](C(C)(C)C)(C(C)(C)C)C(C)(C)C)(N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1
Title of publication	Syntheses and X-ray Structures of Novel Main Group Bis(dialkylamino)phosphinimides†
Authors of publication	Schulz, S.; Raab, M.; Nieger, M.; Niecke, E.
Journal of publication	Organometallics
Year of publication	2000
Journal volume	19
Journal issue	13
Pages of publication	2616
a	11.7878 ± 0.0002 Å
b	35.4013 ± 0.001 Å
c	18.3712 ± 0.0004 Å
α	90°
β	91.813 ± 0.002°
γ	90°
Cell volume	7662.5 ± 0.3 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	0.078
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1293
Weighted residual factors for all reflections included in the refinement	0.1386
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
178663 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/74.	4077479.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 {}'	4077479.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077479.cif
54589	2012-04-28	cif/ Adding structures of 4077478, 4077479, 4077480, 4077481 via cif-deposit CGI script.	4077479.cif