Crystallography Open Database

Information card for entry 4506321

Preview

Coordinates	4506321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Cu2 N6 O6
Calculated formula	C30 H30 Cu2 N6 O6
Title of publication	A Series of Chiral Metal‒Organic Frameworks Based on Oxalyl Retro-Peptides: Synthesis, Characterization, Dichroism Spectra, and Gas Adsorption
Authors of publication	Lin, Lang; Yu, Rongmin; Yang, Wenbin; Wu, Xiao-Yuan; Lu, Can-Zhong
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	6
Pages of publication	3304
a	11.6874 ± 0.0005 Å
b	26.5378 ± 0.0014 Å
c	9.7479 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	3023.4 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 21 21 2
Hall space group symbol	P 2 2ab
Residual factor for all reflections	0.0732
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.2058
Weighted residual factors for all reflections included in the refinement	0.2147
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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