Crystallography Open Database

Information card for entry 7713410

Preview

Coordinates	7713410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H108 Er6 F12 N18 O34
Calculated formula	C96 H108 Er6 F12 N18 O34
Title of publication	Synthesis, Structures and Magnetic studies of Hexanuclear Lanthanide Complexes: SMM behavior in DyIII analogue and MCE properties in the GdIII analogue
Authors of publication	Kumar, Pawan; Kalita, Pankaj; Palacios, Maria A.; Kumar, Vierandra; Acharya, Joydev; Colacio, Enrique; Chandrasekhar, Vadapalli
Journal of publication	Dalton Transactions
Year of publication	2023
a	14.8051 ± 0.0004 Å
b	20.1675 ± 0.0005 Å
c	19.4036 ± 0.0005 Å
α	90°
β	97.575 ± 0.002°
γ	90°
Cell volume	5743 ± 0.3 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	6
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	0.0916
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.1428
Weighted residual factors for all reflections included in the refinement	0.1622
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
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
285073 (current)	2023-07-07	cif/ Adding structures of 7713409, 7713410, 7713411, 7713412 via cif-deposit CGI script.	7713410.cif