Crystallography Open Database

Information card for entry 4341855

Preview

Coordinates	4341855.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 Co2 F6 N O7
Calculated formula	C23 H21 Co2 F6 N O7
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	26.673 ± 0.007 Å
b	9.769 ± 0.003 Å
c	10.315 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2687.8 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1578
Residual factor for significantly intense reflections	0.0856
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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.	4341855.cif
128255	2014-12-06	cif/ Adding structures of 4341855 via cif-deposit CGI script.	4341855.cif