Crystallography Open Database

Information card for entry 7134540

Preview

Coordinates	7134540.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H77.19 Mo4 N4 O64.59 P8 V4
Calculated formula	C28 H77.1804 Mo4 N4 O64.5922 P8 V4
Title of publication	A Mixed Metallic and Mixed Valent MoV4VIV2VIII2 Complex as Electron Transfer Photo-Catalyst for Hydrogen Evolution Reaction
Authors of publication	Morla, Kalyankumar S.; Bhattacharya, Ishita; Banerjee, Siddhartha; Mondal, Kartik Chandra; Thakre, Dewendra; Mourya, Adrash K.; Singh, Piyush; Karnamkkott, Harsha S.; Ahamed, Subuhan; Sahoo, Subham; Sarma, Debajit; Ghosh, Sujit Kumar; Wankhade, Atul V.; Banerjee, Abhishek
Journal of publication	Chemical Communications
Year of publication	2025
a	17.3825 ± 0.0004 Å
b	14.0926 ± 0.0003 Å
c	16.5564 ± 0.0004 Å
α	90°
β	107.986 ± 0.001°
γ	90°
Cell volume	3857.54 ± 0.15 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1041
Weighted residual factors for all reflections included in the refinement	0.105
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
299617 (current)	2025-05-13	cif/ Adding structures of 7134540, 7134541 via cif-deposit CGI script.	7134540.cif