Crystallography Open Database

Information card for entry 1569617

Preview

Coordinates	1569617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H108 Cu12 Mo10 N5 O116 P V2
Calculated formula	C91.9984 H107.994 Cu12 Mo9.9996 N4.9996 O116.001 P V2.0004
Title of publication	Reactivity and stability synergism directed by the electron transfer between polyoxometalates and metal–organic frameworks
Authors of publication	Lu, Xinlin; Cheng, Ting; Geletii, Yurii V.; Bacsa, John; Hill, Craig L.
Journal of publication	Catalysis Science & Technology
Year of publication	2023
Journal volume	13
Journal issue	17
Pages of publication	5094 - 5103
a	26.2487 ± 0.0004 Å
b	26.2487 ± 0.0004 Å
c	26.2487 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	18085.2 ± 0.5 Å³
Cell temperature	106 ± 9 K
Ambient diffraction temperature	106 ± 9 K
Number of distinct elements	8
Space group number	196
Hermann-Mauguin space group symbol	F 2 3
Hall space group symbol	F 2 2 3
Residual factor for all reflections	0.0619
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.1605
Weighted residual factors for all reflections included in the refinement	0.1682
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
286020 (current)	2023-09-05	cif/ Updating files of 1569617 Original log message: Adding full bibliography for 1569617.cif.	1569617.cif
285448	2023-08-05	cif/ Adding structures of 1569617 via cif-deposit CGI script.	1569617.cif