Crystallography Open Database

Information card for entry 4514349

Preview

Coordinates	4514349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C102 H48 O44 Zr6
Calculated formula	C102 H48 O44 Zr6
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	24.6147 ± 0.0009 Å
b	69.169 ± 0.002 Å
c	19.5485 ± 0.0007 Å
α	90°
β	92.081 ± 0.002°
γ	90°
Cell volume	33261 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
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	0.0976
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1943
Weighted residual factors for all reflections included in the refinement	0.2158
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
206108 (current)	2018-02-04	cif/ Updating files of 4514347, 4514348, 4514349 Original log message: Adding full bibliography for 4514347--4514349.cif.	4514349.cif
205036	2018-01-11	cif/ Adding structures of 4514349 via cif-deposit CGI script.	4514349.cif