Crystallography Open Database

Information card for entry 4331835

Preview

Coordinates	4331835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26.5 H70 Cl4 Cu4 N8 O26.5
Calculated formula	C26.5 H60 Cl4 Cu4 N8 O26.5
Title of publication	Controlling Aggregation of Copper(II)-Based Coordination Compounds: From Mononuclear to Dinuclear, Tetranuclear, and Polymeric Copper Complexes
Authors of publication	Fielden, John; Sprott, Joanna; Long, De-Liang; Kögerler, Paul; Cronin, Leroy
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	7
Pages of publication	2886 - 2895
a	10.631 ± 0.0002 Å
b	25.6433 ± 0.0004 Å
c	19.6386 ± 0.0004 Å
α	90°
β	102.003 ± 0.001°
γ	90°
Cell volume	5236.71 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1239
Residual factor for significantly intense reflections	0.0621
Weighted residual factors for significantly intense reflections	0.1239
Weighted residual factors for all reflections included in the refinement	0.1417
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4331835.cif
97930	2014-01-29	cif/ Adding structures of 4331832, 4331833, 4331834, 4331835, 4331836, 4331837, 4331838 via cif-deposit CGI script.	4331835.cif