Crystallography Open Database

Information card for entry 4331545

Preview

Coordinates	4331545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 Cu2 N8 O9 P3
Calculated formula	C10 H22 Cu2 N2 O12
Title of publication	Rational Design and Synthesis of Porous Organic−Inorganic Hybrid Frameworks Constructed by 1,3,5-Benzenetriphosphonic Acid and Pyridine Synthons
Authors of publication	Kong, Deyuan; Zoñ, Jerzy; McBee, Jennifer; Clearfield, Abraham
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	977 - 986
a	13.733 ± 0.012 Å
b	8.659 ± 0.008 Å
c	8.808 ± 0.008 Å
α	90°
β	124.083 ± 0.012°
γ	90°
Cell volume	867.5 ± 1.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 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	0.0195
Residual factor for significantly intense reflections	0.0183
Weighted residual factors for significantly intense reflections	0.0473
Weighted residual factors for all reflections included in the refinement	0.0484
Goodness-of-fit parameter for all reflections included in the refinement	0.818
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
179418 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/15.	4331545.cif
97695	2014-01-29	cif/ Adding structures of 4331545 via cif-deposit CGI script.	4331545.cif