Crystallography Open Database

Information card for entry 7217835

Preview

Coordinates	7217835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H80 In N3 O2 S2
Calculated formula	C55 H80 In N3 O2 S2
SMILES	[In]123(N(c4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)(N(c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)[S]=C(N(C)C)S3
Title of publication	The reactivity of o-amidophenolate indium(III) complexes towards different oxidants
Authors of publication	Piskunov, Alexandr Vladimirovich; Meshcheryakova, Irina N.; Ershova, Irina V.; Bogomyakov, Artem Stepanovich; Cherkasov, Anton; Fukin, Georgii K.
Journal of publication	RSC Advances
Year of publication	2014
a	11.8378 ± 0.0008 Å
b	13.5406 ± 0.0009 Å
c	17.8321 ± 0.0011 Å
α	101.532 ± 0.001°
β	92.074 ± 0.001°
γ	99.227 ± 0.001°
Cell volume	2757.5 ± 0.3 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	0.0385
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
180509 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/78.	7217835.cif
122604	2014-08-29	cif/ Adding structures of 7217834, 7217835, 7217836 via cif-deposit CGI script.	7217835.cif