Crystallography Open Database

Information card for entry 4511080

Preview

Coordinates	4511080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 N2 O9
Calculated formula	C27 H18 N2 O9
Title of publication	Cocrystal and Salts of 2,2′,6,6′-Tetracarboxybiphenyl with Bis(pyridyl) Derivatives: Eight-fold Interpenetrated Diamondoid and Layered Networks
Authors of publication	Roy, Sandipan; Mahata, Goutam; Biradha, Kumar
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	12
Pages of publication	5006
a	8.2046 ± 0.0004 Å
b	13.0131 ± 0.0006 Å
c	13.1983 ± 0.0006 Å
α	65.624 ± 0.001°
β	74.404 ± 0.001°
γ	72.316 ± 0.001°
Cell volume	1206.05 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0803
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1736
Weighted residual factors for all reflections included in the refinement	0.1886
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
179657 (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 4/51/10.	4511080.cif
114685	2014-05-29	cif/ Adding structures of 4511078, 4511079, 4511080, 4511081, 4511082 via cif-deposit CGI script.	4511080.cif