Crystallography Open Database

Information card for entry 4075860

Preview

Coordinates	4075860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 I2 In N2
Calculated formula	C17 H17 I2 In N2
SMILES	[In]1(N(C(=CC(=[N]1c1ccccc1)C)C)c1ccccc1)(I)I
Title of publication	In Search of Cationic Germanium(II)−Transition Metal Complexes L2Ge+W(CO)5and L2Ge+W(CO)4Ge+L2
Authors of publication	Saur, Isabelle; Garcia Alonso, Sonia; Gornitzka, Heinz; Lemierre, Virginie; Chrostowska, Anna; Barrau, Jacques
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	12
Pages of publication	2988
a	13.9239 ± 0.0009 Å
b	9.7981 ± 0.0007 Å
c	14.1029 ± 0.0009 Å
α	90°
β	93.837 ± 0.001°
γ	90°
Cell volume	1919.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0244
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0546
Weighted residual factors for all reflections included in the refinement	0.0557
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
178647 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/58.	4075860.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075860.cif
50709	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075860 via cif-deposit CGI script.	4075860.cif