Crystallography Open Database

Information card for entry 7245001

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Coordinates	7245001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H35 N9 Nd O23
Calculated formula	C37 H35 N9 Nd O23
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	11.2472 ± 0.0005 Å
b	29.3 ± 0.0016 Å
c	13.5309 ± 0.0007 Å
α	90°
β	104.223 ± 0.002°
γ	90°
Cell volume	4322.3 ± 0.4 Å³
Cell temperature	172 ± 2 K
Ambient diffraction temperature	172 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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