Crystallography Open Database

Information card for entry 7021995

7021994 << 7021995 >> 7021996

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Coordinates	7021995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H64 Cl4 Cu2 N20 O4
Calculated formula	C50 H50 Cl4 Cu2 N18 O2
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	19.246 ± 0.002 Å
b	14.0507 ± 0.0015 Å
c	22.037 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	5959.2 ± 1.2 Å³
Cell temperature	90 ± 0.5 K
Ambient diffraction temperature	90 ± 0.5 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	0.0691
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1128
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7021995.cif
88920	2013-10-09	cif/ Adding structures of 7021995, 7021996, 7021997, 7021998 via cif-deposit CGI script.	7021995.cif