Crystallography Open Database

Information card for entry 4506323

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Coordinates	4506323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Cu2 N6 O8
Calculated formula	C18 H22 Cu2 N6 O8
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	10.7957 ± 0.0006 Å
b	26.9671 ± 0.0017 Å
c	9.6972 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	2823.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0475
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1334
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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