Crystallography Open Database

Information card for entry 7026758

Preview

Coordinates	7026758.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 Cu2 N2 O20 P6
Calculated formula	C28 H34 Cu2 N2 O20 P6
Title of publication	Supramolecular networks of polymethylphosphonic acid groups bonded to aromatic platforms: biphenyldiyl-2,2'-bis(methylphosphonic acid) and benzenetriyl-1,3,5-tris(methylphosphonic acid).
Authors of publication	Zoń, Jerzy; Kong, Deyuan; Gagnon, Kevin; Perry, Houston; Holliness, LeAnthony; Clearfield, Abraham
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	45
Pages of publication	11008 - 11018
a	9.7005 ± 0.0011 Å
b	9.8815 ± 0.0011 Å
c	10.2554 ± 0.0018 Å
α	80.103 ± 0.008°
β	74.147 ± 0.005°
γ	87.824 ± 0.006°
Cell volume	931.5 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0993
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
179973 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/67.	7026758.cif
93590	2014-01-13	cif/ Adding structures of 7026753, 7026754, 7026755, 7026756, 7026757, 7026758 via cif-deposit CGI script.	7026758.cif