Crystallography Open Database

Information card for entry 7710131

Preview

Coordinates	7710131.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H98 Cu4 Mo10 N18 O50 S4
Calculated formula	C84 H91 Cu4 Mo10 N18 O50 S4
Title of publication	Assembly of a coordination polymer with sulphate-capped pentamolybdate units and copper: synthesis, structure, magnetic and catalytic studies
Authors of publication	Gupta, Yesleen; Zaidi, Zakiullah; Mehta, Sakshi; Chandewar, Pranay R.; Kumar, Nikhil; Paul, Avijit K.; Shee, Debaprasad; Mondal, Abhishake; Sorokhaibam, Laxmi Gayatri; Banerjee, Abhishek
Journal of publication	Dalton Transactions
Year of publication	2022
a	23.1128 ± 0.0007 Å
b	12.9136 ± 0.0003 Å
c	38.9016 ± 0.0009 Å
α	90°
β	91.719 ± 0.002°
γ	90°
Cell volume	11605.7 ± 0.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0591
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1386
Weighted residual factors for all reflections included in the refinement	0.1438
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	1.34143 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
274727 (current)	2022-04-28	cif/ Adding structures of 7710131 via cif-deposit CGI script.	7710131.cif