Crystallography Open Database

Information card for entry 4310727

Preview

Coordinates	4310727.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Ammoniumtetraphenylborate-Ammonia(1/5)?
Formula	C24 H39 B N6
Calculated formula	C24 H39 B N6
SMILES	[NH4+].N.N.N.N.N.c1(ccccc1)[B-](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	First Characterization of the Ammine-Ammonium Complex [{NH4(NH3)4}2(μ-NH3)2]2+ in the Crystal Structure of [NH4(NH3)4][B(C6H5)4].NH3 and the [NH4(NH3)4]+ Complex in [NH4(NH3)4][Ca(NH3)7]As3S6.2NH3 and [NH4(NH3)4][Ba(NH3)8]As3S6.NH3
Authors of publication	Thomas Rossmeier; Markus Reil; Nikolaus Korber
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	2206 - 2212
a	12.4693 ± 0.0009 Å
b	9.9918 ± 0.0004 Å
c	21.144 ± 0.001 Å
α	90°
β	97.924 ± 0.008°
γ	90°
Cell volume	2609.2 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
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	0.1142
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	0.72
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
179146 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/07.	4310727.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4310727.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4310727.cif
2216	2010-11-09	../uploads/cif-deposit/cod/cif Adding structures of 4310727 via cif-deposit CGI script.	4310727.cif