Crystallography Open Database

Information card for entry 4344088

Preview

Coordinates	4344088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H48 O32 Zr6
Calculated formula	C84 H48 O32 Zr6
Title of publication	Metal-Organic Framework (MOF) Defects under Control: Insights into the Missing Linker Sites and Their Implication in the Reactivity of Zirconium-Based Frameworks.
Authors of publication	Gutov, Oleksii V.; Hevia, Miguel González; Escudero-Adán, Eduardo C; Shafir, Alexandr
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	17
Pages of publication	8396 - 8400
a	26.812 ± 0.002 Å
b	26.812 ± 0.002 Å
c	26.812 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	19275 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0594
Residual factor for significantly intense reflections	0.0401
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4344088.cif
160519	2015-10-06	cif/ Updating files of 4344088 Original log message: Adding full bibliography for 4344088.cif.	4344088.cif
153579	2015-08-22	cif/ Adding structures of 4344088 via cif-deposit CGI script.	4344088.cif