Crystallography Open Database

Information card for entry 7023174

Preview

Coordinates	7023174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H109 In N2 Na O9
Calculated formula	C66 H109 In N2 Na O9
SMILES	c12c(c(cc(c1)C(C)(C)C)C(C)(C)C)O[In]1(N2c2c(cccc2C(C)C)C(C)C)N(c2c(O1)c(C(C)(C)C)cc(c2)C(C)(C)C)c1c(cccc1C(C)C)C(C)C.C[O]1CC[O]([Na]231([O](C)CC[O]3C)[O](C)CC[O]2C)C.C(COC)OC
Title of publication	The new C-C bond formation in the reaction of o-amidophenolate indium(III) complex with alkyl iodides.
Authors of publication	Piskunov, Alexandr V.; Meshcheryakova, Irina N.; Fukin, Georgy K.; Shavyrin, Andrei S.; Cherkasov, Vladimir K.; Abakumov, Gleb A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	29
Pages of publication	10533 - 10539
a	13.1453 ± 0.0005 Å
b	16.6419 ± 0.0006 Å
c	17.5596 ± 0.0006 Å
α	65.234 ± 0.001°
β	85.407 ± 0.001°
γ	87.69 ± 0.001°
Cell volume	3476.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1248
Weighted residual factors for all reflections included in the refinement	0.1301
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179936 (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 7/02/31.	7023174.cif
90457	2013-11-17	cif/ Adding structures of 7023174, 7023175, 7023176 via cif-deposit CGI script.	7023174.cif