Crystallography Open Database

Information card for entry 7063238

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Coordinates	7063238.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cu PF6
Formula	C46 H54 Cl6 Cu2 F12 N12 P2 Se4
Calculated formula	C46 H54 Cl6 Cu1.98 F12 N12 P2 Se3.99
Title of publication	Discrete copper(i) chalcogenones with metal–metal interaction
Authors of publication	Mandal, Suman; Harijan, Dinesh; Kumari, Kusum; Singh, Saurabh Kumar; Rengan, Aravind Kumar; Prabusankar, Ganesan
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	28
Pages of publication	12501 - 12509
a	11.441 ± 0.006 Å
b	10.49 ± 0.006 Å
c	27.824 ± 0.015 Å
α	90°
β	101.83 ± 0.017°
γ	90°
Cell volume	3268 ± 3 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1032
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1511
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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