Crystallography Open Database

Information card for entry 4104908

Preview

Coordinates	4104908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H48 N12 O12
Calculated formula	C68 H48 N12 O12
Title of publication	Supramolecular Rhombic Grids Formed from Bimolecular Building Blocks
Authors of publication	Neng-Fang She; Meng Gao; Xiang-Gao Meng; Guang-Fu Yang; Johannes A. A. W. Elemans; An-Xin Wu; Lyle Isaacs
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	11695 - 11697
a	9.1972 ± 0.0008 Å
b	24.688 ± 0.002 Å
c	13.7801 ± 0.0012 Å
α	90°
β	93.996 ± 0.002°
γ	90°
Cell volume	3121.3 ± 0.5 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299 ± 2 K
Number of distinct elements	4
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	0.1064
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1453
Weighted residual factors for all reflections included in the refinement	0.1659
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
178795 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/49.	4104908.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104908.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104908.cif
29939	2011-11-08	../uploads/cif-deposit/cod/cif Adding structures of 4104908 via cif-deposit CGI script.	4104908.cif