Crystallography Open Database

Information card for entry 4107263

Preview

Coordinates	4107263.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	11037
Formula	C85 H128 Al2 N8 Ni2 P6
Calculated formula	C85 H128 Al2 N8 Ni2 P6
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	11.228 ± 0.005 Å
b	14.192 ± 0.007 Å
c	14.309 ± 0.006 Å
α	70.763 ± 0.006°
β	80.53 ± 0.006°
γ	82.984 ± 0.006°
Cell volume	2117.8 ± 1.7 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	0.0561
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	0.94
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
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.	4107263.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4107263.cif
54915	2012-04-30	cif/ Adding structures of 4107263 via cif-deposit CGI script.	4107263.cif