Crystallography Open Database

Information card for entry 4341886

Preview

Coordinates	4341886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H70 Cl2 Cu2 N8 O17
Calculated formula	C66 H70 Cl2 Cu2 N8 O17
Title of publication	Dicarboxylate Recognition Properties of a Dinuclear Copper(II) Cryptate.
Authors of publication	Mateus, Pedro; Delgado, Rita; André, Vânia; Duarte, M. Teresa
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	1
Pages of publication	229 - 240
a	19.9836 ± 0.0019 Å
b	21.015 ± 0.002 Å
c	17.6125 ± 0.0016 Å
α	90°
β	113.248 ± 0.003°
γ	90°
Cell volume	6795.9 ± 1.1 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2492
Residual factor for significantly intense reflections	0.1082
Weighted residual factors for significantly intense reflections	0.2784
Weighted residual factors for all reflections included in the refinement	0.3241
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
179521 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18.	4341886.cif
130601	2015-02-04	cif/ Updating files of 4341885, 4341886 Original log message: Adding full bibliography for 4341885--4341886.cif.	4341886.cif
128608	2014-12-13	cif/ Adding structures of 4341885, 4341886 via cif-deposit CGI script.	4341886.cif