Crystallography Open Database

Information card for entry 1570946

Preview

Coordinates	1570946.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H46 N6 O12 Zn
Calculated formula	C40 H46 N6 O12 Zn
Title of publication	Ambient conversion of CO2 and epoxides to cyclic carbonates using 3D amide-functionalized MOFs
Authors of publication	Khattak, Zafar A. K.; Ahmad, Nazir; Younus, Hussein A.; Ullah, Habib; Yu, Baoyi; Munawar, Khurram S.; Ashfaq, Muhammad; Yaseen, Muhammad; Danish, Muhammad; Al-Abri, Mohammed; AlHajri, Rashid; Verpoort, Francis
Journal of publication	Catalysis Science & Technology
Year of publication	2024
Journal volume	14
Journal issue	7
Pages of publication	1888 - 1901
a	13.2667 ± 0.0011 Å
b	13.8534 ± 0.0012 Å
c	22.0429 ± 0.0019 Å
α	90°
β	93.349 ± 0.002°
γ	90°
Cell volume	4044.3 ± 0.6 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0487
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1027
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
290794 (current)	2024-04-05	cif/ Updating files of 1570946 Original log message: Adding full bibliography for 1570946.cif.	1570946.cif
289735	2024-02-08	cif/ Adding structures of 1570946 via cif-deposit CGI script.	1570946.cif