Crystallography Open Database

Information card for entry 1567840

Preview

Coordinates	1567840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H40 Ni3 O30 P4
Calculated formula	C8 H40 Ni3 O30 P4
Title of publication	Rational design of heterostructural heterometallic phosphonates as highly efficient electrocatalysts for overall water splitting under alkaline conditions
Authors of publication	Yan, Chong-Chong; Tang, Si-Fu
Journal of publication	Catalysis Science & Technology
Year of publication	2022
Journal volume	12
Journal issue	24
Pages of publication	7417 - 7426
a	10.6044 ± 0.0004 Å
b	10.3561 ± 0.0004 Å
c	13.9206 ± 0.0006 Å
α	90°
β	97.323 ± 0.001°
γ	90°
Cell volume	1516.29 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0528
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
280154 (current)	2023-01-06	cif/ Updating files of 1567839, 1567840 Original log message: Adding full bibliography for 1567839--1567840.cif.	1567840.cif
278777	2022-10-26	cif/ Adding structures of 1567839, 1567840 via cif-deposit CGI script.	1567840.cif