Crystallography Open Database

Information card for entry 7249355

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Coordinates	7249355.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	5-(4-bromophenyl)-2H-tetrazole
Formula	C7 H5 Br N4
Calculated formula	C3.5 H2.5 Br0.5 N2
Title of publication	Molybdenum trioxide as a newer diversified economic catalyst for the transformation of nitroarenes to arylamine and 5-substituted-1H-tetrazole
Authors of publication	Maurya, Anand; Patel, Upendra Kumar; Kumar, Sanjeev; Agarwal, Alka
Journal of publication	RSC Advances
Year of publication	2024
Journal volume	14
Journal issue	40
Pages of publication	29505 - 29517
a	4.1492 ± 0.0001 Å
b	19.9564 ± 0.0005 Å
c	9.7232 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	805.11 ± 0.04 Å³
Cell temperature	135.15 K
Ambient diffraction temperature	135.15 K
Number of distinct elements	4
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0441
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.1207
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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