Crystallography Open Database

Information card for entry 8106101

Preview

Coordinates	8106101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Cl2 Cu N2 O7
Calculated formula	C26 H26 Cl2 Cu N2 O7
Title of publication	The crystal structure of catena-poly[aquachlorido(3,3′-([4,4′-bipyridine]-1,1′-diium-1,1′-diylbis(methylene))dibenzoato-κ2 O:O′)copper(II)] chloride dihydrate, C26H26Cl2CuN2O7
Authors of publication	Gao, Xiaoli; Zhu, Kai; Wang, Wenmin; Lu, Liping
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	2
Pages of publication	209 - 211
a	17.225 ± 0.004 Å
b	14.918 ± 0.003 Å
c	11.589 ± 0.003 Å
α	90°
β	118.957 ± 0.003°
γ	90°
Cell volume	2605.6 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0819
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
279295 (current)	2022-11-15	cif/ Adding structures of 8106101 via cif-deposit CGI script.	8106101.cif