Crystallography Open Database

Information card for entry 7021997

7021996 << 7021997 >> 7021998

Preview

Coordinates	7021997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H91 Cu2 F24 N23 O8 P4
Calculated formula	C73 H91 Cu2 F24 N23 O8 P4
Title of publication	Cyclic pyridyltriazole-Cu(ii) dimers as supramolecular hosts.
Authors of publication	Pokharel, Uttam R.; Fronczek, Frank R.; Maverick, Andrew W.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	39
Pages of publication	14064 - 14067
a	12.8788 ± 0.0014 Å
b	13.7253 ± 0.0014 Å
c	25.452 ± 0.003 Å
α	83.482 ± 0.007°
β	87.955 ± 0.008°
γ	88.596 ± 0.007°
Cell volume	4466.2 ± 0.9 Å³
Cell temperature	95 ± 0.5 K
Ambient diffraction temperature	95 ± 0.5 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1474
Residual factor for significantly intense reflections	0.0766
Weighted residual factors for significantly intense reflections	0.1869
Weighted residual factors for all reflections included in the refinement	0.2148
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7021997.cif
88920	2013-10-09	cif/ Adding structures of 7021995, 7021996, 7021997, 7021998 via cif-deposit CGI script.	7021997.cif