Crystallography Open Database

Information card for entry 7249361

Preview

Coordinates	7249361.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	MIL100(Fe)
Formula	C25.5 H12.5 Fe4.25 O22.67
Calculated formula	C25.5 H12.5 Fe4.25 O22.6667
Title of publication	Elucidating metal–organic framework structures using synchrotron serial crystallography
Authors of publication	De Zitter, Elke; Perl, David; Savko, Martin; Paley, Daniel W.; Thom, Alexander J.; Jeangerard, Damien; Brewster, Aaron S.; Tissot, Antoine; Serre, Christian; Shepard, William
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	39
Pages of publication	5644 - 5654
a	73.09 ± 0.18 Å
b	73.09 ± 0.14 Å
c	73.09 ± 0.18 Å
α	90°
β	90°
γ	90°
Cell volume	390458 ± 16 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.1122
Residual factor for significantly intense reflections	0.0952
Weighted residual factors for significantly intense reflections	0.2744
Weighted residual factors for all reflections included in the refinement	0.2997
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.72931 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
296467 (current)	2024-12-06	cif/ Updating files of 7249358, 7249359, 7249360, 7249361, 7249362, 7249363, 7249364 Original log message: Adding full bibliography for 7249358--7249364.cif.	7249361.cif
294834	2024-09-21	cif/ Adding structures of 7249358, 7249359, 7249360, 7249361, 7249362, 7249363, 7249364 via cif-deposit CGI script.	7249361.cif