Crystallography Open Database

Information card for entry 7124837

Preview

Coordinates	7124837.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PF6PDIMoO
Formula	C45 H51.47 F12 Mo N3 O3 P4
Calculated formula	C45 H51.47 F12 Mo N3 O3 P4
Title of publication	Hydrogen production from water using a bis(imino)pyridine molybdenum electrocatalyst.
Authors of publication	Pal, Raja; Laureanti, Joseph A.; Groy, Thomas L.; Jones, Anne K.; Trovitch, Ryan J.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	77
Pages of publication	11555 - 11558
a	15.3031 ± 0.0006 Å
b	15.9629 ± 0.0006 Å
c	20.6295 ± 0.0008 Å
α	90°
β	104.622 ± 0.001°
γ	90°
Cell volume	4876.2 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
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	0.0519
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.118
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
234270 (current)	2019-11-23	cif/ Adding structures of 7124837, 7124838 via cif-deposit CGI script.	7124837.cif