Crystallography Open Database

Information card for entry 7048652

Preview

Coordinates	7048652.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H46 Cl8 Fe2 N4 P2
Calculated formula	C48 H46 Cl8 Fe2 N4 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	10.4998 ± 0.0003 Å
b	9.7331 ± 0.0003 Å
c	24.6015 ± 0.0006 Å
α	90°
β	96.835 ± 0.002°
γ	90°
Cell volume	2496.3 ± 0.12 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0453
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	7048652.cif
213174	2019-01-17	cif/ Adding structures of 7048646, 7048647, 7048648, 7048649, 7048650, 7048651, 7048652, 7048653 via cif-deposit CGI script.	7048652.cif