Crystallography Open Database

Information card for entry 7701822

Preview

Coordinates	7701822.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Catena-[4,6-(pyrazol-1-yl)pyrimidine]-diaquairon(II) diperchlorate
Formula	C10 H12 Cl2 Fe N6 O10
Calculated formula	C10 H11 Cl2 Fe N6 O10
Title of publication	Molecular Squares, Coordination Polymers and Mononuclear Complexes Supported by 2,4-Dipyrazolyl-6H-1,3,5-triazine and 4,6-Dipyrazolylpyrimidine Ligands
Authors of publication	Capel Berdiell, Izar; Farmiloe, Sarah E.; Kulmaczewski, Rafal; Halcrow, Malcolm
Journal of publication	Dalton Transactions
Year of publication	2019
a	20.888 ± 0.002 Å
b	9.323 ± 0.002 Å
c	19.916 ± 0.002 Å
α	90°
β	113.519 ± 0.013°
γ	90°
Cell volume	3556.2 ± 1 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1128
Residual factor for significantly intense reflections	0.0881
Weighted residual factors for significantly intense reflections	0.2258
Weighted residual factors for all reflections included in the refinement	0.2503
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
223398 (current)	2019-11-06	cif/ Adding structures of 7701808, 7701809, 7701810, 7701811, 7701812, 7701813, 7701814, 7701815, 7701816, 7701817, 7701818, 7701819, 7701820, 7701821, 7701822, 7701823, 7701824, 7701825, 7701826, 7701827, 7701828 via cif-deposit CGI script.	7701822.cif