Crystallography Open Database

Information card for entry 7230381

Preview

Coordinates	7230381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 Cl Fe2 N4 Ni0.5
Calculated formula	C26 H24 Cl Fe2 N4 Ni0.5
Title of publication	Electron-density distributions in selected ferrocenyl-pyrazolyl late transition-metal complexes.
Authors of publication	Peck, M. A.; Hearne, G. R.; Obuah, C.; Darkwa, J.
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2018
Journal volume	20
Journal issue	17
Pages of publication	11682 - 11691
a	23.97 ± 0.0008 Å
b	10.6828 ± 0.0004 Å
c	19.264 ± 0.0007 Å
α	90°
β	111.342 ± 0.001°
γ	90°
Cell volume	4594.6 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0561
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
230917 (current)	2019-11-17	cif/ Updating files of 7230381 Original log message: Adding full bibliography for 7230381.cif.	7230381.cif
207148	2018-03-28	cif/ Adding structures of 7230381 via cif-deposit CGI script.	7230381.cif