Crystallography Open Database

Information card for entry 2021272

2021271 << 2021272 >> 2021273

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Structure parameters

Formula	C20 H42 Mo6 N4 Ni O28
Calculated formula	C20 H42 Mo6 N4 Ni O28
SMILES	[Mo]123(=O)(=O)O[Mo]45([O]61[Ni]1789[OH]5[Mo]5%10([O]4CC(C6)(C[O]15[Mo]1(=O)(=O)(O[Mo]45([O]71CC1(C[O]4[Mo]([OH]85)(=O)(=O)(O2)[O]39C1)C)(=O)=O)O%10)C)(=O)=O)(=O)=O.O.O.O.O.Nc1[nH+]cccc1.[nH+]1c(N)cccc1
Title of publication	Supramolecular interaction-induced assemblies of polyanions and 2-aminopyridinium in two polyoxometalate-based hybrids
Authors of publication	Duan, Fengxue; Liu, Xiaoting; Xu, Wei; Tao, Yanchun; Li, Bao; Wu, Lixin
Journal of publication	Acta Crystallographica Section C
Year of publication	2018
Journal volume	74
Journal issue	11
a	9.1173 ± 0.0011 Å
b	10.3631 ± 0.0014 Å
c	10.7022 ± 0.0015 Å
α	85.653 ± 0.005°
β	77.403 ± 0.005°
γ	83.439 ± 0.005°
Cell volume	979 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0491
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
211540 (current)	2018-10-19	cif/ hkl/ Adding structures of 2021271, 2021272 via cif-deposit CGI script.	2021272.cif 2021272.hkl