Crystallography Open Database

Information card for entry 2006435

2006434 << 2006435 >> 2006436

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Coordinates	2006435.cif
Original IUCr paper	HTML

Structure parameters

Formula	C40 H52 Cl4 Cu2 N4 O4
Calculated formula	C40 H52 Cl4 Cu2 N4 O4
SMILES	C1CCOc2c(C[NH]3[Cu]4([Cl][Cu]5([NH]6Cc7c(OCCCOc8c(C[NH]5CCC6)cccc8)cccc7)([Cl]4)Cl)([NH](Cc4c(O1)cccc4)CCC3)Cl)cccc2
Title of publication	Di-μ-chloro-bis[chloro(6,7,8,9,10,11,18,19-octahydro-5<i>H</i>,17<i>H</i>-dibenzo[<i>f</i>,<i>o</i>][1,5,9,13]dioxadiazacyclohexadecane)copper(II)]
Authors of publication	Ahn, Tae-Ho; Lee, Sueg-Geun; Kim, Jeong; Kim, Si-Joong; Suh, Il-Hwan
Journal of publication	Acta Crystallographica Section C
Year of publication	1997
Journal volume	53
Journal issue	8
Pages of publication	1020 - 1022
a	7.529 ± 0.002 Å
b	13.278 ± 0.002 Å
c	20.457 ± 0.003 Å
α	90°
β	92.14 ± 0.02°
γ	90°
Cell volume	2043.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0724
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for all reflections	0.0996
Weighted residual factors for significantly intense reflections	0.0893
Goodness-of-fit parameter for all reflections	1.062
Goodness-of-fit parameter for significantly intense reflections	1.103
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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