Crystallography Open Database

Information card for entry 7040873

Preview

Coordinates	7040873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C95 H76 Cl10 Fe4 N4 O4
Calculated formula	C95 H76 Cl10 Fe4 N4 O4
Title of publication	Synthesis and structural characterization of iron complexes bearing N-aryl-phenanthren-o-iminoquinone ligands.
Authors of publication	Xu, Bin; Ma, Anjie; Jia, Teng; Hao, Zhiqiang; Gao, Wei; Mu, Ying
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	44
Pages of publication	17966 - 17973
a	13.3556 ± 0.0008 Å
b	14.2676 ± 0.0008 Å
c	14.3243 ± 0.0008 Å
α	63.667 ± 0.001°
β	66.63 ± 0.001°
γ	68.479 ± 0.001°
Cell volume	2184.3 ± 0.2 Å³
Cell temperature	184.65 K
Ambient diffraction temperature	184.65 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0488
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7040873.html