Crystallography Open Database

Information card for entry 4515196

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Coordinates	4515196.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H24 N30 Ni8 O6
Calculated formula	C78 H24 N30 Ni8 O6
Title of publication	Single-Crystal Synthesis and Structures of Highly Stable Ni8-Pyrazolate-Based Metal‒Organic Frameworks
Authors of publication	Zhang, Yong-Zheng; He, Tao; Kong, Xiang-Jing; Bian, Zhen-Xing; Wu, Xue-Qian; Li, Jian-Rong
Journal of publication	ACS Materials Letters
Year of publication	2019
Journal volume	1
Journal issue	1
Pages of publication	20
a	25.351 ± 0.0005 Å
b	25.351 ± 0.0005 Å
c	25.351 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	16292.4 ± 0.6 Å³
Cell temperature	100 ± 10 K
Ambient diffraction temperature	100 ± 10 K
Number of distinct elements	5
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.2136
Weighted residual factors for all reflections included in the refinement	0.2284
Goodness-of-fit parameter for all reflections included in the refinement	1.179
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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