Crystallography Open Database

Information card for entry 1573454

Preview

Coordinates	1573454.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H30 Mo8 N14 Ni2 O34
Calculated formula	C18 H30 Mo8 N14 Ni2 O34
Title of publication	A series of isostructural polyoxometalate-based metal-organic frameworks of 3,5-bis(1',2',4'-triazol-1'-yl)pyridine: synthesis, structures and electrocatalytic properties.
Authors of publication	Xie, Tinghui; Wang, Xinfang; Cao, Tingting; Huang, Zuogang; Yu, Huaguang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	3
Pages of publication	903 - 907
a	15.7082 ± 0.0012 Å
b	16.2936 ± 0.0012 Å
c	17.7195 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	4535.2 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0179
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.0419
Weighted residual factors for all reflections included in the refinement	0.0422
Goodness-of-fit parameter for all reflections included in the refinement	1.238
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298944 (current)	2025-04-05	cif/ Updating files of 1573452, 1573453, 1573454 Original log message: Adding full bibliography for 1573452--1573454.cif.	1573454.cif
296853	2024-12-12	cif/ Adding structures of 1573452, 1573453, 1573454 via cif-deposit CGI script.	1573454.cif