Crystallography Open Database

Information card for entry 4328052

Preview

Coordinates	4328052.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 Bi N18 P3
Calculated formula	C72 H60 Bi N18 P3
Title of publication	Binary Group 15 Polyazides. Structural Characterization of [Bi(N3)4]-, [Bi(N3)5]2-, [bipy.Bi(N3)5]2-, [Bi(N3)6]3-, bipy.As(N3)3, bipy.Sb(N3)3, and [(bipy)2.Bi(N3)3]2and on the Lone Pair Activation of Valence Electrons
Authors of publication	Ralf Haiges; Martin Rahm; David A. Dixon; Edward B. Garner; Karl O. Christe
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1127 - 1141
a	13.3429 ± 0.0009 Å
b	22.6779 ± 0.0016 Å
c	22.0466 ± 0.0015 Å
α	90°
β	96.948 ± 0.001°
γ	90°
Cell volume	6622.1 ± 0.8 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0754
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
179383 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/80.	4328052.cif
76996	2013-03-22	cif/ Adding structures of 4328052 via cif-deposit CGI script.	4328052.cif