Crystallography Open Database

Information card for entry 7018860

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Coordinates	7018860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H7 N4 Tl
Calculated formula	C8 H7 N4 Tl
Title of publication	Synthesis and characterization of four new thallium(i) tetrazole supramolecular compounds with various secondary interactions; new precursors for thallium(iii) oxide nano-particles
Authors of publication	Parast, Mohammad Sadegh Yazdan; Morsali, Ali; Ebrahimpour, Parisa
Journal of publication	Dalton Transactions
Year of publication	2012
Journal volume	41
Journal issue	19
Pages of publication	5848
a	9.7767 ± 0.001 Å
b	8.9439 ± 0.0009 Å
c	20.868 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1824.7 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0363
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0748
Weighted residual factors for all reflections included in the refinement	0.079
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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