Crystallography Open Database

Information card for entry 4107262

Preview

Coordinates	4107262.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	11028
Formula	C47 H72 Al N8 P3
Calculated formula	C47 H72 Al N8 P3
SMILES	c12ccccc2N([Al]23([N]1(c1c(cccc1)N2CP(C(C)C)C(C)C)c1ccccc1N3CP(C(C)C)C(C)C)[N]#CC)CP(C(C)C)C(C)C.N#CC.N#CC.N#CC
Title of publication	Metal-Alane Adducts with Zero-Valent Nickel, Cobalt, and Iron
Authors of publication	P. Alex Rudd; Shengsi Liu; Laura Gagliardi; Victor G. Young; Connie C. Lu
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	20724 - 20727
a	18.378 ± 0.003 Å
b	18.378 ± 0.003 Å
c	27.486 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	8040 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0665
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
178818 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/72.	4107262.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107262.cif
54914	2012-04-30	cif/ Adding structures of 4107262 via cif-deposit CGI script.	4107262.cif