Crystallography Open Database

Information card for entry 7057938

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Coordinates	7057938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H41 N7 O6
Calculated formula	C51 H41 N7 O6
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	9.192 ± 0.001 Å
b	13.0507 ± 0.0016 Å
c	19.469 ± 0.002 Å
α	76.186 ± 0.005°
β	83.285 ± 0.003°
γ	69.384 ± 0.003°
Cell volume	2121.4 ± 0.4 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	0.2665
Residual factor for significantly intense reflections	0.0771
Weighted residual factors for significantly intense reflections	0.1877
Weighted residual factors for all reflections included in the refinement	0.2703
Goodness-of-fit parameter for all reflections included in the refinement	0.838
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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