Crystallography Open Database

Information card for entry 7028603

Preview

Coordinates	7028603.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H60 In N9
Calculated formula	C27 H60 In N9
SMILES	[In]123([N](=C(N1C(C)C)N(C)C)C(C)C)([N](=C(N(C)C)N2C(C)C)C(C)C)[N](=C(N(C)C)N3C(C)C)C(C)C
Title of publication	Indium-tris-guanidinates: a promising class of precursors for water assisted atomic layer deposition of In2O3 thin films.
Authors of publication	Gebhard, M.; Hellwig, M.; Parala, H.; Xu, K.; Winter, M.; Devi, A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	3
Pages of publication	937 - 940
a	16.2217 ± 0.0006 Å
b	11.147 ± 0.0003 Å
c	23.0289 ± 0.0009 Å
α	90°
β	109.239 ± 0.003°
γ	90°
Cell volume	3931.6 ± 0.2 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
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	0.0436
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1037
Goodness-of-fit parameter for all reflections included in the refinement	1.202
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
179992 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/86.	7028603.cif
105372	2014-03-12	cif/ Adding structures of 7028602, 7028603 via cif-deposit CGI script.	7028603.cif