Crystallography Open Database

Information card for entry 7244023

Preview

Coordinates	7244023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H82 Cu5 Mo22 N24 O89 P2
Calculated formula	C52 H82 Cu5 Mo22 N24 O89 P2
Title of publication	A series of POM-based compounds by tuning coordination groups and spacers of ligands: electrocatalytic, capacitive and photoelectrocatalytic properties
Authors of publication	Sun, Chenxi; Ying, Jun; Zhang, Yanping; Jin, Liang; Tian, Aixiang; Wang, Xiuli
Journal of publication	CrystEngComm
Year of publication	2022
Journal volume	24
Journal issue	3
Pages of publication	587 - 600
a	23.2769 ± 0.0007 Å
b	13.9736 ± 0.0004 Å
c	19.3429 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	6291.5 ± 0.3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1062
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
272635 (current)	2022-02-04	cif/ Updating files of 7244020, 7244021, 7244022, 7244023, 7244024, 7244025, 7244026 Original log message: Adding full bibliography for 7244020--7244026.cif.	7244023.cif
271280	2021-12-09	cif/ Adding structures of 7244020, 7244021, 7244022, 7244023, 7244024, 7244025, 7244026 via cif-deposit CGI script.	7244023.cif