Crystallography Open Database

Information card for entry 1517046

Preview

Coordinates	1517046.cif

Structure parameters

Formula	C44 H38 Cu2 N2 O9
Calculated formula	C44 H38 Cu2 N2 O9
Title of publication	Catalytic transesterification reactions of one-dimensional coordination polymers containing paddle-wheel-type units connected by various bridging ligands
Authors of publication	In Hong Hwang; Young Dan Jo; Hyun Kim; Kyeong Beom Kim; Kwang-Deog Jung; Cheal Kim; Youngmee Kim; Sung-Jin Kim
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	402
Pages of publication	39 - 45
a	10.4155 ± 0.0016 Å
b	20.113 ± 0.003 Å
c	19.323 ± 0.003 Å
α	90°
β	104.032 ± 0.003°
γ	90°
Cell volume	3927.1 ± 1 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
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	0.0726
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1141
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	0.9
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517046.cif
119955	2014-07-10	cif/ Adding structures of 1517046 via cif-deposit CGI script.	1517046.cif