Crystallography Open Database

Information card for entry 7059989

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Coordinates	7059989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H8 N4 O4
Calculated formula	C8 H8 N4 O4
Title of publication	1-m-Nitrobenzoyl semicarbazide: reversible colorimetric cascade indicators for fluoride and moisture
Authors of publication	Nandi, Sujay Kumar; Haldar, Debasish
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	40
Pages of publication	17523 - 17530
a	6.3611 ± 0.0005 Å
b	4.6432 ± 0.0004 Å
c	30.859 ± 0.002 Å
α	90°
β	94.213 ± 0.003°
γ	90°
Cell volume	908.98 ± 0.12 Å³
Cell temperature	107 ± 2 K
Ambient diffraction temperature	107.49 K
Number of distinct elements	4
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	0.0877
Residual factor for significantly intense reflections	0.0593
Weighted residual factors for significantly intense reflections	0.1406
Weighted residual factors for all reflections included in the refinement	0.1605
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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