Crystallography Open Database

Information card for entry 7709228

Preview

Coordinates	7709228.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 Fe0.17 Ga0.17 N2 O4
Calculated formula	C11 Fe0.166667 Ga0.166667 N2 O4
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	5
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	0.3547
Residual factor for significantly intense reflections	0.2025
Weighted residual factors for significantly intense reflections	0.451
Weighted residual factors for all reflections included in the refinement	0.5265
Goodness-of-fit parameter for all reflections included in the refinement	1.219
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.	7709228.cif
271819	2022-01-06	cif/ Adding structures of 7709227, 7709228 via cif-deposit CGI script.	7709228.cif