Crystallography Open Database

Information card for entry 4341853

Preview

Coordinates	4341853.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H62 Co3 F24 N2 O16
Calculated formula	C80 H34 Co3 F24 N2 O16
Title of publication	Unusual Magnetic Behaviors and Electronic Configurations Driven by Diverse Co(II) or Mn(II) MOF Architectures.
Authors of publication	Bernini, María Celeste; de Paz, Julio Romero; Snejko, Natalia; Sáez-Puche, Regino; Gutierrez-Puebla, Enrique; Monge, María Ángeles
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141204082337009
a	12.3614 ± 0.0008 Å
b	25.6247 ± 0.0017 Å
c	13.7747 ± 0.0009 Å
α	90°
β	93.458 ± 0.001°
γ	90°
Cell volume	4355.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.1496
Residual factor for significantly intense reflections	0.0775
Weighted residual factors for significantly intense reflections	0.1966
Weighted residual factors for all reflections included in the refinement	0.2225
Goodness-of-fit parameter for all reflections included in the refinement	0.959
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
179521 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18.	4341853.cif
128253	2014-12-06	cif/ Adding structures of 4341853 via cif-deposit CGI script.	4341853.cif