Crystallography Open Database

Information card for entry 4512166

Preview

Coordinates	4512166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H148 N16 O41 P8 S5
Calculated formula	C84 H120 N16 O41 P8 S5
Title of publication	Extending the Family of Tetrahedral Tectons: Phenyl Embraces in Supramolecular Polymers of Tetraphenylmethane-based Tetraphosphonic Acid Templated by Organic Bases
Authors of publication	Zaręba, Jan K.; Białek, Michał J.; Janczak, Jan; Zoń, Jerzy; Dobosz, Agnieszka
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	11
Pages of publication	6143
a	28.4097 ± 0.0013 Å
b	13.197 ± 0.0003 Å
c	18.5512 ± 0.0007 Å
α	90°
β	123.744 ± 0.006°
γ	90°
Cell volume	5783.5 ± 0.5 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.0863
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.155
Weighted residual factors for all reflections included in the refinement	0.1729
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
179668 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/21.	4512166.cif
126850	2014-11-11	cif/ Updating files of 4512161, 4512162, 4512163, 4512164, 4512165, 4512166 Original log message: Adding full bibliography for 4512161--4512166.cif.	4512166.cif
125667	2014-10-22	cif/ Adding structures of 4512161, 4512162, 4512163, 4512164, 4512165, 4512166 via cif-deposit CGI script.	4512166.cif