Crystallography Open Database

Information card for entry 7060748

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Coordinates	7060748.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 Ca N8 O15
Calculated formula	C6 H14 Ca N8 O15
Title of publication	Laser ignition of energetic complexes: impact of metal ion on laser initiation ability
Authors of publication	Wang, Yu; Xu, Siyu; Li, Heng; Ma, Haixia; Zhang, Yazhou; Guo, Zhaoqi
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	28
Pages of publication	12705 - 12710
a	17.7607 ± 0.0012 Å
b	6.407 ± 0.0004 Å
c	30.907 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3517 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1363
Residual factor for significantly intense reflections	0.0631
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.161
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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