Crystallography Open Database

Information card for entry 4339345

Preview

Coordinates	4339345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H14 B Cu2 F4 N3 O7
Calculated formula	C18 H14 B Cu2 F4 N3 O7
Title of publication	Anion-directed synthesis of metal-organic frameworks based on 2-picolinate CuII complexes: a ferromagnetic alternating chain and two unprecedented ferromagnetic fish backbone chains.
Authors of publication	Biswas, Chaitali; Mukherjee, Pampa; Drew, Michael G. B.; Gómez-García, Carlos J; Clemente-Juan, Juan M; Ghosh, Ashutosh
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	25
Pages of publication	10771 - 10780
a	8.5487 ± 0.001 Å
b	10.222 ± 0.0013 Å
c	12.8509 ± 0.0019 Å
α	102.132 ± 0.012°
β	101.182 ± 0.011°
γ	97.946 ± 0.01°
Cell volume	1058.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1186
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1363
Weighted residual factors for all reflections included in the refinement	0.1679
Goodness-of-fit parameter for all reflections included in the refinement	0.9
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4339345.cif
117275	2014-06-14	cif/ Adding structures of 4339345 via cif-deposit CGI script.	4339345.cif