Crystallography Open Database

Information card for entry 4320811

4320810 << 4320811 >> 4320812

Preview

Coordinates	4320811.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H32 Cl4 In2 N6 O4
Calculated formula	C16 H32 Cl4 In2 N6 O4
SMILES	C1CCC[O]1[In]1([N](=N#N)[In]([N]1=N#N)([O]1CCCC1)([O]1CCCC1)(Cl)Cl)(Cl)([O]1CCCC1)Cl
Title of publication	Synthesis of Cl2InN3, Br2InN3, and Related Adducts
Authors of publication	Cory Steffek; Jeff McMurran; Brett Pleune; J. Kouvetakis; Thomas E. Concolino; Arnold L. Rheingold
Journal of publication	Inorganic Chemistry
Year of publication	2000
Journal volume	39
Pages of publication	1615 - 1617
a	12.337 ± 0.002 Å
b	14.531 ± 0.005 Å
c	15.649 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2805.4 ± 1.1 Å³
Cell temperature	254 ± 2 K
Ambient diffraction temperature	254 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0998
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1515
Goodness-of-fit parameter for all reflections included in the refinement	0.844
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
179311 (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 4/32/08.	4320811.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320811.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320811.cif
18124	2011-04-27	../uploads/cif-deposit/cod/cif Adding structures of 4320811 via cif-deposit CGI script.	4320811.cif