Crystallography Open Database

Information card for entry 1572930

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Coordinates	1572930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H72 N3 O3 Pd3 Se3
Calculated formula	C60 H72 N3 O3 Pd3 Se3
Title of publication	A Triradical-Containing Trinuclear Pd(II) Complex: Spin-Polarized Electronic Transmission, Analog Resistive Switching and Neuromorphic Advancements
Authors of publication	Sarkar, Prasenjit; Manamel, Litty Thomas; Saha, Puranjay; Jana, Chinmay; Sarmah, Amrit; Mohanan, Kannan Udaya; Das, Bikas C.; Mukherjee, Chandan
Journal of publication	Materials Horizons
Year of publication	2024
a	14.0778 ± 0.0003 Å
b	15.5286 ± 0.0003 Å
c	31.7803 ± 0.0004 Å
α	79.873 ± 0.001°
β	77.515 ± 0.001°
γ	64.584 ± 0.002°
Cell volume	6099.4 ± 0.2 Å³
Cell temperature	100 ± 0.13 K
Ambient diffraction temperature	100 ± 0.13 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1126
Weighted residual factors for all reflections included in the refinement	0.1192
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
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
295603 (current)	2024-10-24	cif/ Adding structures of 1572930 via cif-deposit CGI script.	1572930.cif