Crystallography Open Database

Information card for entry 4337039

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Coordinates	4337039.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Cd N5 O14
Calculated formula	C30 H30 Cd N5 O14
Title of publication	Crystalline Fibers of Metal-Peptide Double Ladders
Authors of publication	Dani Peri; Jim Ciston; Felipe Gándara; Yingbo Zhao; Omar M. Yaghi
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	13818 - 13820
a	18.319 ± 0.002 Å
b	4.8688 ± 0.0005 Å
c	20.288 ± 0.002 Å
α	90°
β	115.556 ± 0.005°
γ	90°
Cell volume	1632.5 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1285
Residual factor for significantly intense reflections	0.0946
Weighted residual factors for significantly intense reflections	0.2103
Weighted residual factors for all reflections included in the refinement	0.2327
Goodness-of-fit parameter for all reflections included in the refinement	1.126
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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