Crystallography Open Database

Information card for entry 7231916

7231915 << 7231916 >> 7231917

Preview

Coordinates	7231916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H26 N4 O13 S2 Zn2
Calculated formula	C40 H26 N4 O13 S2 Zn2
Title of publication	Two 2D microporous MOFs based on bent carboxylates and a linear spacer for selective CO2 adsorption
Authors of publication	Pal, Arun; Mitra, Antarip; Chand, Santanu; Lin, Jian-Bin; Das, Madhab C.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	3
Pages of publication	535
a	9.894 ± 0.005 Å
b	12.719 ± 0.005 Å
c	12.789 ± 0.005 Å
α	60.037 ± 0.005°
β	77.603 ± 0.005°
γ	83.457 ± 0.005°
Cell volume	1361.7 ± 1 Å³
Cell temperature	298 ± 1 K
Ambient diffraction temperature	298 ± 1 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0889
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1734
Weighted residual factors for all reflections included in the refinement	0.1893
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223740 (current)	2019-11-07	cif/ Updating files of 7231915, 7231916 Original log message: Adding full bibliography for 7231915--7231916.cif.	7231916.cif
212301	2018-12-04	cif/ Adding structures of 7231915, 7231916 via cif-deposit CGI script.	7231916.cif