Crystallography Open Database

Information card for entry 7048647

Preview

Coordinates	7048647.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 Cl2 Fe N2 P2
Calculated formula	C34 H34 Cl2 Fe N2 P2
Title of publication	PNN' & P<sub>2</sub>NN' ligands via reductive amination with phosphine aldehydes: synthesis and base-metal coordination chemistry.
Authors of publication	Gradiski, Matthew V.; Tsui, Brian T. H.; Lough, Alan J.; Morris, Robert H.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	6
Pages of publication	2150 - 2159
a	7.578 ± 0.0008 Å
b	12.4245 ± 0.0014 Å
c	16.9432 ± 0.0019 Å
α	77.923 ± 0.004°
β	83.039 ± 0.003°
γ	81.784 ± 0.003°
Cell volume	1537 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.1025
Residual factor for significantly intense reflections	0.0462
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	0.998
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
224149 (current)	2019-11-07	cif/ Updating files of 7048646, 7048647, 7048648, 7048649, 7048650, 7048651, 7048652, 7048653 Original log message: Adding full bibliography for 7048646--7048653.cif.	7048647.cif
213174	2019-01-17	cif/ Adding structures of 7048646, 7048647, 7048648, 7048649, 7048650, 7048651, 7048652, 7048653 via cif-deposit CGI script.	7048647.cif