Crystallography Open Database

Information card for entry 4500310

Preview

Coordinates	4500310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H15 Cu F6 N O4
Calculated formula	C23 H15 Cu F6 N O4
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	21.561 ± 0.003 Å
b	14.717 ± 0.002 Å
c	17.745 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5630.7 ± 1.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor for all reflections	0.0529
Residual factor for significantly intense reflections	0.066
Weighted residual factors for significantly intense reflections	0.141
Weighted residual factors for all reflections included in the refinement	0.1638
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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
179534 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/03.	4500310.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500310.cif
34442	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500310, 4500311 via cif-deposit CGI script.	4500310.cif