Crystallography Open Database

Information card for entry 4507815

Preview

Coordinates	4507815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H56 B4 N4 O8
Calculated formula	C36 H56 B4 N4 O8
Title of publication	Macrocycles and Coordination Polymers Derived from Self-Complementary Tectons Based onN-Containing Boronic Acids
Authors of publication	Salazar-Mendoza, Domingo; Cruz-Huerta, Jorge; Höpfl, H.; Hernández-Ahuactzi, Irán F.; Sanchez, Mario
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	6
Pages of publication	2441
a	16.673 ± 0.002 Å
b	11.8338 ± 0.0015 Å
c	21.255 ± 0.003 Å
α	90°
β	99.497 ± 0.002°
γ	90°
Cell volume	4136.2 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1414
Residual factor for significantly intense reflections	0.1183
Weighted residual factors for significantly intense reflections	0.2335
Weighted residual factors for all reflections included in the refinement	0.2448
Goodness-of-fit parameter for all reflections included in the refinement	1.29
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
179614 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/78.	4507815.cif
87092	2013-07-14	cif/ Adding structures of 4507815 via cif-deposit CGI script.	4507815.cif