Crystallography Open Database

Information card for entry 4345199

Preview

Coordinates	4345199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80.5 H155.25 Co8 N7.75 O35
Calculated formula	C80.5 H153.25 Co8 N7.75 O35
Title of publication	Tetranuclear {Co(II)2Co(III)2}, Octanuclear {Co(II)4Co(III)4}, and Hexanuclear {Co(III)3Dy(III)3} Pivalate Clusters: Synthesis, Magnetic Characterization, and Theoretical Modeling.
Authors of publication	Radu, Ioana; Kravtsov, Victor Ch; Ostrovsky, Serghei M.; Reu, Oleg S.; Krämer, Karl; Decurtins, Silvio; Liu, Shi-Xia; Klokishner, Sophia I.; Baca, Svetlana G.
Journal of publication	Inorganic chemistry
Year of publication	2017
Journal volume	56
Journal issue	5
Pages of publication	2662 - 2676
a	20.82 ± 0.0006 Å
b	18.8098 ± 0.0004 Å
c	30.8575 ± 0.0009 Å
α	90°
β	98.669 ± 0.003°
γ	90°
Cell volume	11946.4 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.1308
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1799
Weighted residual factors for all reflections included in the refinement	0.2343
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
194782 (current)	2017-04-04	cif/ Updating files of 4345199 Original log message: Adding full bibliography for 4345199.cif.	4345199.cif
192032	2017-02-14	cif/ Adding structures of 4345199 via cif-deposit CGI script.	4345199.cif