Crystallography Open Database

Information card for entry 1561407

Preview

Coordinates	1561407.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H31 Cd2.5 N5 O16.5
Calculated formula	C36 H31 Cd2.5 N5 O16.5
Title of publication	A pair of novel Cd(II) enantiomers based on lactate derivatives: Synthesis, crystal structures and properties
Authors of publication	Xu, Zhong-Xuan; Ao, Ke-Hou; Zhang, Jian
Journal of publication	Journal of Solid State Chemistry
Year of publication	2016
Journal volume	241
Pages of publication	105 - 109
a	25.6433 ± 0.0008 Å
b	13.3904 ± 0.0004 Å
c	15.1209 ± 0.0005 Å
α	90°
β	92.753 ± 0.003°
γ	90°
Cell volume	5186.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0469
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1093
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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