Crystallography Open Database

Information card for entry 4077481

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Structure parameters

Formula	C60 H120 Al2 N6 O P2
Calculated formula	C60 H120 Al2 N6 O P2
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	9.6873 ± 0.0006 Å
b	12.82 ± 0.0009 Å
c	14.2885 ± 0.0012 Å
α	98.725 ± 0.004°
β	105.978 ± 0.004°
γ	106.748 ± 0.004°
Cell volume	1581.3 ± 0.2 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	0.066
Residual factor for significantly intense reflections	0.0471
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4077481.cif
178663	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.	4077481.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4077481.cif
54589	2012-04-28	cif/ Adding structures of 4077478, 4077479, 4077480, 4077481 via cif-deposit CGI script.	4077481.cif