Crystallography Open Database

Information card for entry 4343605

Preview

Coordinates	4343605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H26 Cd N12 O8
Calculated formula	C32 H26 Cd N12 O8
Title of publication	Carbon Dioxide Capture by a Metal-Organic Framework with Nitrogen-Rich Channels Based on Rationally Designed Triazole-Functionalized Tetraacid Organic Linker.
Authors of publication	Seth, Saona; Savitha, Govardhan; Moorthy, Jarugu Narasimha
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	14
Pages of publication	6829 - 6835
a	18.066 ± 0.005 Å
b	20.762 ± 0.005 Å
c	15.24 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	5716 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	37
Hermann-Mauguin space group symbol	C c c 2
Hall space group symbol	C 2 -2c
Residual factor for all reflections	0.0906
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	0.897
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
152829 (current)	2015-08-05	cif/ Updating files of 4343605 Original log message: Adding full bibliography for 4343605.cif.	4343605.cif
141427	2015-07-09	cif/ Adding structures of 4343605 via cif-deposit CGI script.	4343605.cif