Crystallography Open Database

Information card for entry 7701259

Preview

Coordinates	7701259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H71 Cu I N4 O5.5 S4
Calculated formula	C64 H68 Cu I N4 O4 S4
Title of publication	Three thiacalix[4]arene-based Cu(i) coordination polymers: catalytic activities for azide-alkyne cycloaddition reactions and luminescence properties.
Authors of publication	Li, Jian-Fang; Du, Peng; Liu, Ying-Ying; Xu, Guo-Hai; Ma, Jian-Fang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	12
Pages of publication	3715 - 3722
a	15.282 ± 0.0008 Å
b	15.561 ± 0.0008 Å
c	15.889 ± 0.0009 Å
α	105.876 ± 0.005°
β	111.146 ± 0.005°
γ	90.496 ± 0.004°
Cell volume	3365.3 ± 0.4 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.0514
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
250317 (current)	2020-04-05	cif/ Updating files of 7701257, 7701258, 7701259 Original log message: Adding full bibliography for 7701257--7701259.cif.	7701259.cif
218893	2019-09-28	cif/ Adding structures of 7701257, 7701258, 7701259 via cif-deposit CGI script.	7701259.cif