Crystallography Open Database

Information card for entry 4514347

Preview

Coordinates	4514347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H44 In2 N3 O17
Calculated formula	C58 H44 In2 N3 O17
Title of publication	New Metal-Organic Frameworks for Chemical Fixation of CO2.
Authors of publication	Nguyen, Phuong T. K.; Nguyen, Huong T. D.; Nguyen, Hung N.; Trickett, Christopher A.; Ton, Quang T.; Gutiérrez-Puebla, Enrique; Monge, M. Angeles; Cordova, Kyle E.; Gándara, Felipe
Journal of publication	ACS applied materials & interfaces
Year of publication	2018
Journal volume	10
Journal issue	1
Pages of publication	733 - 744
a	12.666 ± 0.003 Å
b	29.888 ± 0.006 Å
c	15.424 ± 0.003 Å
α	90°
β	112.43 ± 0.03°
γ	90°
Cell volume	5397 ± 2 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1042
Residual factor for significantly intense reflections	0.0675
Weighted residual factors for significantly intense reflections	0.1951
Weighted residual factors for all reflections included in the refinement	0.2399
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
206108 (current)	2018-02-04	cif/ Updating files of 4514347, 4514348, 4514349 Original log message: Adding full bibliography for 4514347--4514349.cif.	4514347.cif
205034	2018-01-11	cif/ Adding structures of 4514347 via cif-deposit CGI script.	4514347.cif