Crystallography Open Database

Information card for entry 7052715

Preview

Coordinates	7052715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H19 F6 N4 O2 P Pd
Calculated formula	C14 H19 F6 N4 O2 P Pd
Title of publication	Synthesis, characterization and co-ordination chemistry of dioxolanedipyrazoles
Authors of publication	Jozak, Thomas; Sun, Yu; Thiel, Werner R.
Journal of publication	New Journal of Chemistry
Year of publication	2011
Journal volume	35
Journal issue	10
Pages of publication	2114
a	9.8264 ± 0.0002 Å
b	11.8915 ± 0.0002 Å
c	16.8036 ± 0.0004 Å
α	90°
β	100.463 ± 0.002°
γ	90°
Cell volume	1930.86 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0327
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0763
Weighted residual factors for all reflections included in the refinement	0.0768
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180081 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27.	7052715.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052715.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052715.cif
28133	2011-10-13	../uploads/cif-deposit/cod/cif Adding structures of 7052714, 7052715, 7052716 via cif-deposit CGI script.	7052715.cif