Crystallography Open Database

Information card for entry 4347710

Preview

Coordinates	4347710.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(C(C)C)(=NP(=[Se]2)(C(C)C)C(C)C)C(C)C)[Se]=P(N=P1(C(C)C)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	9.317 ± 0.0003 Å
b	12.8796 ± 0.0004 Å
c	16.3511 ± 0.0005 Å
α	79.229 ± 0.003°
β	78.362 ± 0.003°
γ	69.842 ± 0.003°
Cell volume	1789.31 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0443
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
232458 (current)	2019-11-23	cif/ Adding structures of 4347710 via cif-deposit CGI script.	4347710.cif