Crystallography Open Database

Information card for entry 8106161

Preview

Coordinates	8106161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H14 Cu N O9
Calculated formula	C22 H14 Cu N O9
Title of publication	Hydrothermal synthesis and crystal structure of poly[bis(μ2-3-(3,5-dicarboxyphenoxy)phthalato-κ3 O,O′:O′′)-(μ2-1,2-di(pyridin-4-yl)ethane-κ2 N:N′)copper(II)], C22H14CuNO9
Authors of publication	Yun-Ping, Li; Feng-Yang, Ju
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	3
Pages of publication	387 - 389
a	7.9208 ± 0.0004 Å
b	10.2954 ± 0.0004 Å
c	13.1361 ± 0.0007 Å
α	72.719 ± 0.004°
β	79.598 ± 0.005°
γ	85.19 ± 0.004°
Cell volume	1005.53 ± 0.09 Å³
Cell temperature	264 ± 1 K
Ambient diffraction temperature	264 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1051
Goodness-of-fit parameter for all reflections included in the refinement	1.122
Diffraction radiation probe	x-ray
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
279395 (current)	2022-11-18	cif/ Adding structures of 8106161 via cif-deposit CGI script.	8106161.cif