Crystallography Open Database

Information card for entry 7058945

Preview

Coordinates	7058945.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	di(1-amino-5-methyltetrazolyl) 5-hydroxy-2,4,6-trinitresorcinato copper(II)
Chemical name	di(1-amino-5-methyltetrazolyl) 5-hydroxy-2,4,6-trinitresorcinato copper(II)
Formula	C10 H11 Cu N13 O9
Calculated formula	C10 H11 Cu N13 O9
Title of publication	Synthesis and Comparison of Copper(II) Complexes with various N-Aminotetrazole Ligands Involving Trinitrophenol Anions
Authors of publication	Stierstorfer, Joerg; Wurzenberger, Maximilian Hans Horst; Lommel, Marcus; Gruhne, Michael S.; Szimhardt, Norbert; Bissinger, Benjamin
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	46
Pages of publication	18193 - 18202
a	15.2566 ± 0.0009 Å
b	14.7433 ± 0.0007 Å
c	8.135 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1829.83 ± 0.18 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1406
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.0843
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	0.988
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
301442 (current)	2025-08-04	Updating journal pages, volumes and years from the data sent by Robert McMeeking. cod/ (saulius@pterodaktilis)	7058945.cif
220352	2019-10-29	cif/ Adding structures of 7058936, 7058937, 7058938, 7058939, 7058940, 7058941, 7058942, 7058943, 7058944, 7058945, 7058946, 7058947, 7058948, 7058949, 7058950, 7058951 via cif-deposit CGI script.	7058945.cif