Crystallography Open Database

Information card for entry 7224746

Preview

Coordinates	7224746.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Fe3 N25 O19
Calculated formula	C18 H22 Fe3 N25 O19
SMILES	c1n(CC2=[O][Fe]345([O]6[Fe]7([O]=C(Cn8cnnn8)O[Fe]6(O2)([O]=C(Cn2cnnn2)O7)([OH2])[O]=C(Cn2cnnn2)O3)([OH2])(OC(Cn2cnnn2)=[O]4)[O]=C(Cn2cnnn2)O5)[OH2])nnn1.N(=O)(=O)[O-]
Title of publication	Two new energetic coordination compounds based on Tetrazole-1-acetic acid: Syntheses, crystal structures and their synergistic catalytic effect for thermal decomposition of ammonium perchlorate
Authors of publication	Kang, Li; Wei, Zhixian; Song, Jiang-Feng; Qu, Yuanyuan; Wang, Yale
Journal of publication	RSC Adv.
Year of publication	2016
a	12.0154 ± 0.0013 Å
b	20.745 ± 0.002 Å
c	16.311 ± 0.002 Å
α	90°
β	102.087 ± 0.003°
γ	90°
Cell volume	3975.5 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0767
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
180613 (current)	2016-03-30	cif/ Adding structures of 7224745, 7224746 via cif-deposit CGI script.	7224746.cif