Crystallography Open Database

Information card for entry 4500311

Preview

Coordinates	4500311.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zn-F-MOF-4A
Formula	C29 H22 F5.92 N2 O4 Zn
Calculated formula	C29 H22.5 F5.92 N2 O4 Zn
Title of publication	Solvothermal Synthesis, Structure, and Properties of Metal Organic Framework Isomers Derived from a Partially Fluorinated Link
Authors of publication	Pachfule, Pradip; Das, Raja; Poddar, Pankaj; Banerjee, Rahul
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	4
Pages of publication	1215
a	21.626 ± 0.002 Å
b	14.6622 ± 0.0017 Å
c	17.777 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5636.8 ± 1.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0967
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1345
Weighted residual factors for all reflections included in the refinement	0.1542
Goodness-of-fit parameter for all reflections included in the refinement	0.949
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4500311.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500311.cif
34442	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500310, 4500311 via cif-deposit CGI script.	4500311.cif