Crystallography Open Database

Information card for entry 7702885

Preview

Coordinates	7702885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25.39 H32.48 Cl2 Fe N9 O1.35
Calculated formula	C25.392 H32.48 Cl2 Fe N9 O1.348
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	12.987 ± 0.0002 Å
b	16.2105 ± 0.0002 Å
c	14.3844 ± 0.0002 Å
α	90°
β	106.26 ± 0.001°
γ	90°
Cell volume	2907.16 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0406
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0891
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7702885.cif