Crystallography Open Database

Information card for entry 4501528

Preview

Coordinates	4501528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H23 Cu3 F6 N9 O7.5 S2
Calculated formula	C26 H23 Cu3 F6 N9 O7.5 S2
Title of publication	Systematic Synthesis of a Metal Organic Framework Based on Triangular Cu3(μ3-OH) Secondary Building Units: From a 0-D Complex to a 1-D Chain and a 3-D Lattice
Authors of publication	Rivera-Carrillo, Marlyn; Chakraborty, Indranil; Raptis, Raphael G.
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	6
Pages of publication	2606
a	16.583 ± 0.004 Å
b	13.153 ± 0.003 Å
c	34.538 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	7533 ± 3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.1661
Residual factor for significantly intense reflections	0.0904
Weighted residual factors for significantly intense reflections	0.2232
Weighted residual factors for all reflections included in the refinement	0.2719
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
179546 (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 4/50/15.	4501528.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501528.cif
35961	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501526, 4501527, 4501528, 4501529 via cif-deposit CGI script.	4501528.cif