Crystallography Open Database

Information card for entry 7057936

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Coordinates	7057936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H70 N8 O16
Calculated formula	C70 H70 N8 O16
Title of publication	Crystal engineering with isosteric triether and triamine linked aromatic tri-carboxylic acids: iso-structurality and synthon interplay in their co-crystals and salts with bis(pyridyl) derivatives
Authors of publication	Das, Debarati; Roy, Sandipan; Biradha, Kumar
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	24
Pages of publication	19953
a	6.874 ± 0.005 Å
b	12.86 ± 0.009 Å
c	18.821 ± 0.012 Å
α	103.912 ± 0.018°
β	97.77 ± 0.02°
γ	100.062 ± 0.019°
Cell volume	1562.6 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2964
Residual factor for significantly intense reflections	0.1175
Weighted residual factors for significantly intense reflections	0.2332
Weighted residual factors for all reflections included in the refinement	0.2829
Goodness-of-fit parameter for all reflections included in the refinement	0.825
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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