Crystallography Open Database

Information card for entry 7246942

Preview

Coordinates	7246942.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	L-Pro-Mn-Anderson
Formula	C46 H106 Mn Mo7.5 N4 O44 S14
Calculated formula	C40 H98 Mn Mo7.5 N4 O41 S11
Title of publication	A bifunctional molecular catalyst built up of l-proline grafted polyoxometalate for one-pot three-component green synthesis of heterocycles
Authors of publication	Dai, Guoyong; Li, Qi; Zang, Dejin; Wei, Yongge
Journal of publication	Green Chemistry
Year of publication	2023
Journal volume	25
Journal issue	16
Pages of publication	6263 - 6269
a	33.5555 ± 0.0004 Å
b	30.4959 ± 0.0004 Å
c	9.33799 ± 0.00009 Å
α	90°
β	90°
γ	90°
Cell volume	9555.61 ± 0.19 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1165
Weighted residual factors for all reflections included in the refinement	0.1195
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
286140 (current)	2023-09-05	cif/ Updating files of 7246941, 7246942 Original log message: Adding full bibliography for 7246941--7246942.cif.	7246942.cif
284637	2023-06-29	cif/ Adding structures of 7246941, 7246942 via cif-deposit CGI script.	7246942.cif