Crystallography Open Database

Information card for entry 4309214

Preview

Coordinates	4309214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H28 Br In N2
Calculated formula	C14 H28 Br In N2
SMILES	C1CC2CC[N]1([InH2](Br)[N]13CCC(CC1)CC3)CC2
Title of publication	Controlled Decomposition of an Indium Trihydride Adduct: Synthesis and Characterization of the First Mixed-Oxidation-State Indium Sub-halide Complex Anion, [In5Br8(quinuclidine)4]-
Authors of publication	Marcus L. Cole; Cameron Jones; Marc Kloth
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	4909 - 4911
a	11.215 ± 0.002 Å
b	12.033 ± 0.002 Å
c	12.634 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1705 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0321
Weighted residual factors for significantly intense reflections	0.0623
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
179130 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/92.	4309214.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309214.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309214.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309214.cif