Crystallography Open Database

Information card for entry 7244999

Preview

Coordinates	7244999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H14 Cd N4 O11
Calculated formula	C17 H14 Cd N4 O11
Title of publication	Construction of highly energetic metal–organic frameworks with a nitrobenzene derivative
Authors of publication	Zong, Zhihui; Zhou, Feiya; Chang, Qinghua; Shen, Jingyi; Wang, Shan; Liang, Lili
Journal of publication	CrystEngComm
Year of publication	2022
Journal volume	24
Journal issue	21
Pages of publication	3953 - 3961
a	29.0184 ± 0.0013 Å
b	9.5952 ± 0.0005 Å
c	16.245 ± 0.0008 Å
α	90°
β	120.293 ± 0.001°
γ	90°
Cell volume	3905.6 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0705
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0609
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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