Crystallography Open Database

Information card for entry 7059312

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Structure parameters

Formula	C17 H25 N5 O2 S2
Calculated formula	C17 H25 N5 O2 S2
Title of publication	Indium(iii) {2}-metallacryptates assembled from 2,6-dipicolinoyl-bis(N,N-diethylthiourea)
Authors of publication	Pham, Chien Thang; Roca Jungfer, Maximilian; Abram, Ulrich
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	9
Pages of publication	3672 - 3680
a	17.0884 ± 0.0015 Å
b	38.951 ± 0.004 Å
c	12.1957 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	8117.6 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.131
Residual factor for significantly intense reflections	0.1222
Weighted residual factors for significantly intense reflections	0.2454
Weighted residual factors for all reflections included in the refinement	0.2498
Goodness-of-fit parameter for all reflections included in the refinement	1.148
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
301851 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure.	7059312.cif
257819	2020-10-06	cif/ Updating files of 7059312, 7059313, 7059314, 7059315 Original log message: Adding full bibliography for 7059312--7059315.cif.	7059312.cif
249014	2020-03-05	cif/ Updating files of 7059312, 7059313, 7059314, 7059315 Original log message: Adding full bibliography for 7059312--7059315.cif.	7059312.cif
248112	2020-02-13	cif/ Adding structures of 7059312, 7059313, 7059314, 7059315 via cif-deposit CGI script.	7059312.cif