Crystallography Open Database

Information card for entry 4512163

Preview

Coordinates	4512163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C92 H128 N12 O34 P8
Calculated formula	C92 H128 N12 O34 P8
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	28.5639 ± 0.0015 Å
b	14.5854 ± 0.0005 Å
c	24.8546 ± 0.001 Å
α	90°
β	90.449 ± 0.006°
γ	90°
Cell volume	10354.5 ± 0.8 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1349
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for significantly intense reflections	0.1337
Weighted residual factors for all reflections included in the refinement	0.165
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4512163.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.	4512163.cif
125667	2014-10-22	cif/ Adding structures of 4512161, 4512162, 4512163, 4512164, 4512165, 4512166 via cif-deposit CGI script.	4512163.cif