Crystallography Open Database

Information card for entry 1567393

Preview

Coordinates	1567393.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H24 Fe O6
Calculated formula	C20 H24 Fe O6
Title of publication	Metallopolymers in minutes via organocatalysis at room temperature
Authors of publication	Oberle, Kjersti G.; Whitman, Elizabeth L.; Jolly, Charles S.; Webster, Katherine A.; Marx, Benjamin S.; Howard, Christopher M.; Hanger, Clara A.; Ramey, Erin E.; Zou, Yutong; Lowe, Jared C.; Turlington, Mark; Turlington, Christopher R.
Journal of publication	Polymer Chemistry
Year of publication	2022
Journal volume	13
Journal issue	33
Pages of publication	4747 - 4751
a	34.6729 ± 0.0018 Å
b	5.8345 ± 0.0003 Å
c	19.159 ± 0.001 Å
α	90°
β	106.03 ± 0.002°
γ	90°
Cell volume	3725.1 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0445
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.0941
Goodness-of-fit parameter for all reflections included in the refinement	1.132
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
277681 (current)	2022-09-06	cif/ Updating files of 1567393 Original log message: Adding full bibliography for 1567393.cif.	1567393.cif
276973	2022-07-28	cif/ Adding structures of 1567393 via cif-deposit CGI script.	1567393.cif