Crystallography Open Database

Information card for entry 7034021

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Coordinates	7034021.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H122 Cl7 Dy6 N8 Na O87
Calculated formula	C40 H60 Cl4 Dy6 N8 Na O66
Title of publication	Chirality detection of two enantiomorphic 3D lanthanide coordination polymers by vibrational circular dichroism spectra.
Authors of publication	Zheng, Xiu-Ying; Zhang, Han; Cao, Ling-Yun; Kong, Xiang-Jian; Long, La-Sheng; Zheng, Lan-Sun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	12
Pages of publication	5299 - 5302
a	35.491 ± 0.004 Å
b	35.491 ± 0.004 Å
c	35.491 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	44705 ± 9 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
Space group number	213
Hermann-Mauguin space group symbol	P 41 3 2
Hall space group symbol	P 4bd 2ab 3
Residual factor for all reflections	0.0668
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1681
Weighted residual factors for all reflections included in the refinement	0.1747
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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