Crystallography Open Database

Information card for entry 7110639

Preview

Coordinates	7110639.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu3(H2L)(L).2H2O
Formula	C36 H38 Cu3 N4 O10
Calculated formula	C36 H38 Cu3 N4 O10
Title of publication	An unusual [4 + 4 + 4] bishelical complex, Cu3(H2L)(L)·2H2O [H4L′ = N,N′-bis(3-hydroxysalicylidene)-1,4-diaminobutane]: synthesis and crystal structure
Authors of publication	Sanmartín, Jesús; Bermejo, Manuel R.; García-Deibe, Ana M.; Piro, Oscar; Castellano, Eduardo E.
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	19
Pages of publication	1953
a	17.098 ± 0.007 Å
b	13.871 ± 0.006 Å
c	15.366 ± 0.007 Å
α	90°
β	110.063 ± 0.0006°
γ	90°
Cell volume	3423 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2971
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.2272
Goodness-of-fit parameter for all reflections included in the refinement	0.915
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
180220 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/06.	7110639.cif
95582	2014-01-28	cif/ Adding structures of 7110639 via cif-deposit CGI script.	7110639.cif