Crystallography Open Database

Information card for entry 7710415

Preview

Coordinates	7710415.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H30 Cl2 Fe O6 P2
Calculated formula	C42 H30 Cl2 Fe O6 P2
Title of publication	Mixed valency in a neutral 1D Fe-chloranilate coordination polymer.
Authors of publication	Clutterbuck, Katelyn M.; Abrahams, Brendan F.; Hudson, Timothy A.; van Koeverden, Martin P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	24
Pages of publication	9199 - 9205
a	12.463 ± 0.003 Å
b	13.273 ± 0.003 Å
c	12.782 ± 0.003 Å
α	90°
β	118.94 ± 0.03°
γ	90°
Cell volume	1850.4 ± 0.9 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0689
Residual factor for significantly intense reflections	0.063
Weighted residual factors for significantly intense reflections	0.188
Weighted residual factors for all reflections included in the refinement	0.196
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
276616 (current)	2022-07-06	cif/ Updating files of 7710412, 7710413, 7710414, 7710415 Original log message: Adding full bibliography for 7710412--7710415.cif.	7710415.cif
275887	2022-06-08	cif/ Adding structures of 7710412, 7710413, 7710414, 7710415 via cif-deposit CGI script.	7710415.cif