Crystallography Open Database

Information card for entry 7250057

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Coordinates	7250057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H38 Cl N5 O12
Calculated formula	C35 H38 Cl N5 O12
Title of publication	Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates
Authors of publication	Singh, Abhay Pratap; Baruah, Jubaraj B.
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	12
Pages of publication	1701 - 1706
a	11.0457 ± 0.0016 Å
b	31.235 ± 0.004 Å
c	11.3942 ± 0.0017 Å
α	90°
β	117.679 ± 0.005°
γ	90°
Cell volume	3481.3 ± 0.9 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0957
Residual factor for significantly intense reflections	0.0832
Weighted residual factors for significantly intense reflections	0.2077
Weighted residual factors for all reflections included in the refinement	0.2147
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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