Crystallography Open Database

Information card for entry 7021998

7021997 << 7021998 >> 7021999

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Coordinates	7021998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C77.65 H99.85 Cu2 F24 N24.55 O7.55 P4
Calculated formula	C73 H89 Cu2 F24 N23 O6 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	13.0571 ± 0.0011 Å
b	14.5591 ± 0.0012 Å
c	24.932 ± 0.002 Å
α	88.774 ± 0.003°
β	86.565 ± 0.003°
γ	81.906 ± 0.003°
Cell volume	4683.5 ± 0.7 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 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	0.0792
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.21
Weighted residual factors for all reflections included in the refinement	0.2136
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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.	7021998.cif
88920	2013-10-09	cif/ Adding structures of 7021995, 7021996, 7021997, 7021998 via cif-deposit CGI script.	7021998.cif