Crystallography Open Database

Information card for entry 1563304

Preview

Coordinates	1563304.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H34 Cd N10 O6
Calculated formula	C36 H30 Cd N10 O6
SMILES	c12c3ccc[n]1[Cd]1([n]4c2c(c2c3[nH]c(n2)c2cnccc2)ccc4)([n]2c3c(ccc2)c2c(c4ccc[n]1c34)nc([nH]2)c1cnccc1)(O)O.O.O.O.O
Title of publication	A series of Cd(II) complexes with π‒π stacking and hydrogen bonding interactions: Structural diversities by varying the ligands
Authors of publication	Wang, Xiuli; Zhang, Jinxia; Liu, Guocheng; Lin, Hongyan
Journal of publication	Journal of Solid State Chemistry
Year of publication	2011
Journal volume	184
Journal issue	2
Pages of publication	280 - 288
a	13.805 ± 0.005 Å
b	9.278 ± 0.005 Å
c	25.858 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	3312 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266361 (current)	2021-06-10	cif/ Adding structures of 1563301, 1563302, 1563303, 1563304, 1563305, 1563306, 1563307 via cif-deposit CGI script.	1563304.cif