Crystallography Open Database

Information card for entry 4515194

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Coordinates	4515194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 N12 Ni4 O3
Calculated formula	C36 H24 N12 Ni4 O3
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	25.3403 ± 0.0003 Å
b	25.3403 ± 0.0003 Å
c	25.3403 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	16271.8 ± 0.3 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 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	0.0319
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0791
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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