Crystallography Open Database

Information card for entry 7236676

Preview

Coordinates	7236676.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 Mo N8 Ni O5
Calculated formula	C36 H28 Mo N8 Ni O4
Title of publication	Ternary hybrids as efficient bifunctional electrocatalysts derived from bimetallic metal‒organic-frameworks for overall water splitting
Authors of publication	Li, Xiao; Wang, Xinlong; Zhou, Jie; Han, Lu; Sun, Chunyi; Wang, Qingqing; Su, Zhongmin
Journal of publication	Journal of Materials Chemistry A
Year of publication	2018
Journal volume	6
Journal issue	14
Pages of publication	5789
a	12.5972 ± 0.0013 Å
b	13.873 ± 0.0015 Å
c	14.9094 ± 0.0016 Å
α	62.703 ± 0.002°
β	76.533 ± 0.002°
γ	82.775 ± 0.002°
Cell volume	2251.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1027
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1328
Weighted residual factors for all reflections included in the refinement	0.1493
Goodness-of-fit parameter for all reflections included in the refinement	0.858
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
236413 (current)	2019-11-24	cif/ Adding structures of 7236675, 7236676 via cif-deposit CGI script.	7236676.cif