Crystallography Open Database

Information card for entry 1544711

Preview

Coordinates	1544711.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	FePY5Me2Cl_PF6
Formula	C29 H25 Cl F6 Fe N5 P
Calculated formula	C29 H25 Cl F6 Fe N5 P
Title of publication	Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities
Authors of publication	Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki
Journal of publication	Faraday Discuss.
Year of publication	2016
a	8.9422 ± 0.0003 Å
b	17.1851 ± 0.0006 Å
c	20.8463 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	3203.5 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0981
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1566
Weighted residual factors for all reflections included in the refinement	0.1904
Goodness-of-fit parameter for all reflections included in the refinement	1.111
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
188865 (current)	2016-12-03	cif/ Adding structures of 1544711, 1544712, 1544713, 1544714, 1544715 via cif-deposit CGI script.	1544711.cif