Crystallography Open Database

Information card for entry 7017088

Preview

Coordinates	7017088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23.05 H25.78 F6 N3.68 O9.68 Pr
Calculated formula	C23.0505 H25.608 F6 N3.6835 O9.6835 Pr
Title of publication	Synthesis, structure and magnetic properties of Nd(3+) and Pr(3+) 2D polymers with tetrafluoro-p-phthalate.
Authors of publication	Mikhalyova, Elena A.; Kolotilov, Sergey V.; Zeller, Matthias; Thompson, Laurence K.; Addison, Anthony W.; Pavlishchuk, Vitaly V.; Hunter, Allen D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	41
Pages of publication	10989 - 10996
a	22.194 ± 0.002 Å
b	11.4347 ± 0.0012 Å
c	11.716 ± 0.0012 Å
α	90°
β	94.703 ± 0.002°
γ	90°
Cell volume	2963.3 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
179874 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/70.	7017088.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017088.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017088.cif
30052	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7017088 via cif-deposit CGI script.	7017088.cif