Crystallography Open Database

Information card for entry 7715726

Preview

Coordinates	7715726.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H130 Mn12 N12 O50 P6
Calculated formula	C114 H130 Mn12 N12 O50 P6
Title of publication	Discovery of two predictable (3,18)-connected topologies based on Wells-Dawson type cages for the design of porous metal phosphonocarboxylate frameworks.
Authors of publication	Dan, Wenyan; Chen, Zhenxia; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Deng, Mingli
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	18
Pages of publication	7734 - 7741
a	17.364 ± 0.006 Å
b	17.364 ± 0.006 Å
c	41.589 ± 0.012 Å
α	90°
β	90°
γ	120°
Cell volume	10859 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1493
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1974
Weighted residual factors for all reflections included in the refinement	0.2312
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
293101 (current)	2024-07-05	cif/ Updating files of 7715722, 7715723, 7715724, 7715725, 7715726, 7715727 Original log message: Adding full bibliography for 7715722--7715727.cif.	7715726.cif
291210	2024-04-16	cif/ Adding structures of 7715722, 7715723, 7715724, 7715725, 7715726, 7715727 via cif-deposit CGI script.	7715726.cif