Crystallography Open Database

Information card for entry 7061385

Preview

Coordinates	7061385.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H73 Cu Mo5 N4 O24 S6
Calculated formula	C56 H65 Cu Mo5 N4 O22 S6
Title of publication	Two Cu(i)-based inorganic–organic complexes assembled with polyoxometalate and thiacalix[4]arene for efficient catalytic reactions
Authors of publication	Ma, Le; Guo, Feifan; Ma, Jian-Fang
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	15
Pages of publication	6995 - 7002
a	41.902 ± 0.004 Å
b	12.785 ± 0.0008 Å
c	15.3738 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	8236 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.1523
Residual factor for significantly intense reflections	0.1218
Weighted residual factors for significantly intense reflections	0.2637
Weighted residual factors for all reflections included in the refinement	0.283
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
275036 (current)	2022-05-05	cif/ Updating files of 7061385, 7061386 Original log message: Adding full bibliography for 7061385--7061386.cif.	7061385.cif
273672	2022-03-12	cif/ Adding structures of 7061385, 7061386 via cif-deposit CGI script.	7061385.cif