Crystallography Open Database

Information card for entry 7246492

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Coordinates	7246492.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	DPPMA/MTBPS
Formula	C162 H165 N25 O18 S4
Calculated formula	C117 H95.9997 N16 O12 S4
Title of publication	The introduction of a base component to porous organic salts and their CO2 storage capability
Authors of publication	Ami, Takahiro; Oka, Kouki; Tsuchiya, Keiho; Kosaka, Wataru; Miyasaka, Hitoshi; Tohnai, Norimitsu
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	15
Pages of publication	2321 - 2325
a	21.9765 ± 0.0004 Å
b	21.9765 ± 0.0004 Å
c	114.166 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	47751.2 ± 1.5 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	5
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.1275
Residual factor for significantly intense reflections	0.1015
Weighted residual factors for significantly intense reflections	0.3298
Weighted residual factors for all reflections included in the refinement	0.3624
Goodness-of-fit parameter for all reflections included in the refinement	1.251
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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