Crystallography Open Database

Information card for entry 8102504

Preview

Coordinates	8102504.cif

Structure parameters

Formula	C15 H15 Cl In N9
Calculated formula	C15 H15 Cl In N9
SMILES	[In](Cl)(N=N#N)(N=N#N)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
Title of publication	Crystal structure of diazidochlorotris(pyridine)indium(III), [InCl(N3)2(C5H5N)3]
Authors of publication	Michael Claesener; Martin Jansen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	67
a	23.627 ± 0.004 Å
b	10.0689 ± 0.0016 Å
c	15.55 ± 0.003 Å
α	90°
β	93.602 ± 0.002°
γ	90°
Cell volume	3692 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.146
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102504.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102504.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102504.cif
13243	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102504 via cif-deposit CGI script.	8102504.cif