Crystallography Open Database

Information card for entry 4130345

Preview

Coordinates	4130345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C384 H264 Cl2 F132 Fe8 N48 O32 P14
Calculated formula	C384 H264 Cl2 F105.6 Fe8 N48 O32 P9.6
Title of publication	Perfluorinated Ligands Induce Meridional Metal Stereochemistry to Generate M8L12, M10L15, and M12L18 Prisms.
Authors of publication	Kieffer, Marion; Pilgrim, Ben S.; Ronson, Tanya K.; Roberts, Derrick A.; Aleksanyan, Mina; Nitschke, Jonathan R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	21
Pages of publication	6813 - 6821
a	28.314 ± 0.0013 Å
b	28.314 ± 0.0013 Å
c	35.3911 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	28372 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	126
Hermann-Mauguin space group symbol	P 4/n n c :2
Hall space group symbol	-P 4a 2bc
Residual factor for all reflections	0.1389
Residual factor for significantly intense reflections	0.0971
Weighted residual factors for significantly intense reflections	0.2693
Weighted residual factors for all reflections included in the refinement	0.3178
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.6889 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
240809 (current)	2019-11-25	cif/ Adding structures of 4130345, 4130346 via cif-deposit CGI script.	4130345.cif