Crystallography Open Database

Information card for entry 7248067

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Coordinates	7248067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Cl6 Cu N8 O8
Calculated formula	C12 H12 Cl6 Cu N8 O8
Title of publication	Synthesis of energetic coordination compounds based on pyrazole and 4-chloropyrazole via co-melting crystallization method
Authors of publication	Lu, Zu-Jia; Wang, Ting-Wei; Sun, Mou; Xu, Mei-Qi; Zhang, Chao; Yi, Zhen-Xin; Zhang, Jian-Guo
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	8
Pages of publication	1178 - 1188
a	36.169 ± 0.003 Å
b	9.9451 ± 0.0009 Å
c	13.4069 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	4822.5 ± 0.8 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1081
Residual factor for significantly intense reflections	0.093
Weighted residual factors for significantly intense reflections	0.2395
Weighted residual factors for all reflections included in the refinement	0.2527
Goodness-of-fit parameter for all reflections included in the refinement	1.128
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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