Crystallography Open Database

Information card for entry 7134584

Preview

Coordinates	7134584.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H51.88 Br0.56 Cd N9 O12.44
Calculated formula	C36 H20.88 Br0.56 Cd N6 O8.44
Title of publication	Uncommon quadruple stacking topology in a honeycomb-sheet MOF compatible with through-space conduction
Authors of publication	Tanabe, Tappei; Qu, Liyuan; Ueno, Kenta; Takaishi, Shinya; Yamashita, Masahiro; Hijikata, Yuh; Matsuda, Ryotaro; Sakamoto, Ryota; Iguchi, Hiroaki
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	52
Pages of publication	9500 - 9503
a	9.679 ± 0.005 Å
b	36.891 ± 0.006 Å
c	54.555 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	19480 ± 12 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1178
Residual factor for significantly intense reflections	0.1112
Weighted residual factors for significantly intense reflections	0.3577
Weighted residual factors for all reflections included in the refinement	0.3635
Goodness-of-fit parameter for all reflections included in the refinement	1.595
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.9 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300453 (current)	2025-07-06	cif/ Updating files of 7134584 Original log message: Adding full bibliography for 7134584.cif.	7134584.cif
299786	2025-05-23	cif/ Adding structures of 7134584 via cif-deposit CGI script.	7134584.cif