Crystallography Open Database

Information card for entry 7021982

7021981 << 7021982 >> 7021983

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Coordinates	7021982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H86 Cu2 N20 O33
Calculated formula	C60 H64 Cu2 N20 O26
Title of publication	Synthesis of a self-assembled copper(ii) metallo-rectangle with a guanosine-substituted terpyridine.
Authors of publication	Ghosh, Sushobhan; Silber, Georg T.; White, Andrew J. P.; Robertson, Neil; Vilar, Ramon
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	38
Pages of publication	13813 - 13816
a	10.2878 ± 0.0003 Å
b	13.7254 ± 0.0005 Å
c	14.8599 ± 0.0005 Å
α	107.893 ± 0.003°
β	103.008 ± 0.003°
γ	94.397 ± 0.003°
Cell volume	1921.34 ± 0.12 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0559
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1395
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179924 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/19.	7021982.cif
88910	2013-10-09	cif/ Adding structures of 7021982 via cif-deposit CGI script.	7021982.cif