Crystallography Open Database

Information card for entry 7702889

Preview

Coordinates	7702889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H19 Cl4 Fe N9
Calculated formula	C20 H19 Cl4 Fe N9
Title of publication	Pyrazolyl methyls prescribe the electronic properties of iron(II) tetra(pyrazolyl)lutidine chloride complexes.
Authors of publication	Morin, Tyler J.; Wanniarachchi, Sarath; Gwengo, Chengeto; Makura, Vitales; Tatlock, Heidi M.; Lindeman, Sergey V.; Bennett, Brian; Long, Gary J.; Grandjean, Fernande; Gardinier, James R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	31
Pages of publication	8024 - 8034
a	10.5496 ± 0.0002 Å
b	19.4285 ± 0.0003 Å
c	12.0185 ± 0.0002 Å
α	90°
β	90.04 ± 0.001°
γ	90°
Cell volume	2463.35 ± 0.07 Å³
Cell temperature	270 ± 2 K
Ambient diffraction temperature	270 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0491
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.1224
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	0.995
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
244150 (current)	2019-11-28	cif/ Adding structures of 7702883, 7702884, 7702885, 7702886, 7702887, 7702888, 7702889 via cif-deposit CGI script.	7702889.cif