Crystallography Open Database

Information card for entry 7059313

Preview

Coordinates	7059313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H77 F6 In2 K N15 O6 P S6
Calculated formula	C58 H77 F6 In2 K N15 O6 P S6
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	19.655 ± 0.001 Å
b	22.587 ± 0.001 Å
c	18.115 ± 0.001 Å
α	90°
β	113.96 ± 0.01°
γ	90°
Cell volume	7349.1 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	9
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	0.0657
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	0.892
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
257819 (current)	2020-10-06	cif/ Updating files of 7059312, 7059313, 7059314, 7059315 Original log message: Adding full bibliography for 7059312--7059315.cif.	7059313.cif
249014	2020-03-05	cif/ Updating files of 7059312, 7059313, 7059314, 7059315 Original log message: Adding full bibliography for 7059312--7059315.cif.	7059313.cif
248112	2020-02-13	cif/ Adding structures of 7059312, 7059313, 7059314, 7059315 via cif-deposit CGI script.	7059313.cif