Crystallography Open Database

Information card for entry 7709227

Preview

Coordinates	7709227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 Fe N6 O12
Calculated formula	C33 Fe N6 O12
Title of publication	Metal-hydrogen-pi-bonded organic frameworks.
Authors of publication	Zhu, Jie; Samperisi, Laura; Kalaj, Mark; Chiong, Jerika A.; Bailey, Jake B.; Zhang, Zhiyin; Yu, Chung-Jui; Sikma, R. Eric; Zou, Xiaodong; Cohen, Seth M.; Huang, Zhehao; Tezcan, F. Akif
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	5
Pages of publication	1927 - 1935
a	18.2 ± 0.003 Å
b	18.2 ± 0.003 Å
c	16.17 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	4638.6 ± 1.4 Å³
Cell temperature	98 ± 2 K
Ambient diffraction temperature	98 ± 2 K
Number of distinct elements	4
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.3285
Residual factor for significantly intense reflections	0.2092
Weighted residual factors for significantly intense reflections	0.4527
Weighted residual factors for all reflections included in the refinement	0.5176
Goodness-of-fit parameter for all reflections included in the refinement	1.324
Diffraction radiation wavelength	0.0251 Å
Diffraction radiation type	electrons
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
272676 (current)	2022-02-04	cif/ Updating files of 7709227, 7709228 Original log message: Adding full bibliography for 7709227--7709228.cif.	7709227.cif
271819	2022-01-06	cif/ Adding structures of 7709227, 7709228 via cif-deposit CGI script.	7709227.cif