Crystallography Open Database

Information card for entry 7237147

Preview

Coordinates	7237147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H44 B12 Fe2 I12 N2
Calculated formula	C30 H44 B12 Fe2 I12 N2
Title of publication	Effects of closo-icosahedral periodoborane salts on hypergolic reactions of 70% H2O2 with energetic ionic liquids
Authors of publication	Chinnam, Ajay Kumar; Petrutik, Natan; Wang, Kangcai; Shlomovich, Avital; Shamis, Olga; Tov, Daniel Shem; Sućeska, Muhamed; Yan, Qi-Long; Dobrovetsky, Roman; Gozin, Michael
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	41
Pages of publication	19989
a	10.9499 ± 0.0004 Å
b	12.057 ± 0.0005 Å
c	12.3471 ± 0.0004 Å
α	61.337 ± 0.001°
β	69.03 ± 0.001°
γ	81.237 ± 0.001°
Cell volume	1335.24 ± 0.09 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0232
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0509
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
237451 (current)	2019-11-24	cif/ Adding structures of 7237146, 7237147 via cif-deposit CGI script.	7237147.cif