Crystallography Open Database

Information card for entry 7230798

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Coordinates	7230798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C81 H86 Cl3 N11 O22 Zn3
Calculated formula	C81 H70 Cl3 N11 O22 Zn3
Title of publication	Diasteroselective multi-component assemblies from dynamic covalent imine condensation and metal-coordination chemistry: mechanism and narcissistic stereochemistry self-sorting
Authors of publication	Badetti, Elena; Carmo dos Santos, Nadia Alessandra; Scaramuzzo, Francesca A.; Bravin, Carlo; Wurst, Klaus; Licini, Giulia; Zonta, Cristiano
Journal of publication	RSC Advances
Year of publication	2018
Journal volume	8
Journal issue	35
Pages of publication	19494
a	16.677 ± 0.001 Å
b	17.848 ± 0.001 Å
c	27.356 ± 0.002 Å
α	90°
β	93.947 ± 0.002°
γ	90°
Cell volume	8123.2 ± 0.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
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	0.0887
Residual factor for significantly intense reflections	0.0555
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1408
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
208021 (current)	2018-05-29	cif/ Adding structures of 7230798 via cif-deposit CGI script.	7230798.cif