Crystallography Open Database

Information card for entry 4503528

Preview

Coordinates	4503528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H94 N4 O22 P6
Calculated formula	C52 H94 N4 O22 P6
Title of publication	Hydrogen-Bonded Structures Formed from the Reaction of 1,3,5-Benzene-triphosphonic Acid and Adamantane
Authors of publication	Kong, Deyuan; Yao, Jiyong; Clearfield, Abraham; Zon, Jerzy
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	8
Pages of publication	2892
a	10.974 ± 0.003 Å
b	13.124 ± 0.004 Å
c	21.098 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	3038.6 ± 1.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0816
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
179569 (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 4/50/35.	4503528.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503528.cif
41611	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503528, 4503529, 4503530 via cif-deposit CGI script.	4503528.cif