Crystallography Open Database

Information card for entry 2023187

2023186 << 2023187 >> 2023188

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Coordinates	2023187.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	2-[(4-Phenyl-1<i>H</i>-1,2,3-triazol-1-yl)methyl]pyridin-1-ium hexakis(nitrato-κ^2^<i>O</i>,<i>O</i>')thorate(IV)
Formula	C28 H26 N14 O18 Th
Calculated formula	C28 H26 N14 O18 Th
Title of publication	Synthesis, structural studies and Hirshfeld surface analysis of 2-[(4-phenyl-1H-1,2,3-triazol-1-yl)methyl]pyridin-1-ium hexakis(nitrato-κ2 O,O′)thorate(IV)
Authors of publication	Rangarajan, Shalini; Sheokand, Sonu; Blair, Victoria L.; Deacon, Glen B.; Balakrishna, Maravanji S.
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	8
a	14.5386 ± 0.0003 Å
b	9.3464 ± 0.0002 Å
c	15.4213 ± 0.0004 Å
α	90°
β	117.846 ± 0.001°
γ	90°
Cell volume	1852.86 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0197
Residual factor for significantly intense reflections	0.0147
Weighted residual factors for significantly intense reflections	0.0327
Weighted residual factors for all reflections included in the refinement	0.0346
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
293328 (current)	2024-07-09	cif/ Adding structures of 2023187 via cif-deposit CGI script.	2023187.cif