Crystallography Open Database

Information card for entry 4347712

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Coordinates	4347712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H56 Co N2 P4 Se4
Calculated formula	C24 H56 Co N2 P4 Se4
SMILES	[Se]1[Co]2([Se]P(=NP(=[Se]2)(C(C)C)C(C)C)(C(C)C)C(C)C)[Se]=P(C(C)C)(N=P1(C(C)C)C(C)C)C(C)C
Title of publication	Magnetic Anisotropy of Tetrahedral Co<sup>II</sup> Single-Ion Magnets: Solid-State Effects.
Authors of publication	Sottini, Silvia; Poneti, Giordano; Ciattini, Samuele; Levesanos, Nikolaos; Ferentinos, Eleftherios; Krzystek, J.; Sorace, Lorenzo; Kyritsis, Panayotis
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	19
Pages of publication	9537 - 9548
a	9.2646 ± 0.0004 Å
b	12.8147 ± 0.0005 Å
c	16.2882 ± 0.0006 Å
α	79.442 ± 0.003°
β	78.752 ± 0.003°
γ	69.885 ± 0.004°
Cell volume	1766.73 ± 0.13 Å³
Cell temperature	15 ± 2 K
Ambient diffraction temperature	15 ± 2 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	0.0559
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
232460 (current)	2019-11-23	cif/ Adding structures of 4347712 via cif-deposit CGI script.	4347712.cif