Crystallography Open Database

Information card for entry 4500254

Preview

Coordinates	4500254.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H50 Cu N4 O13
Calculated formula	C34 H50 Cu N4 O13
Title of publication	Syntheses, Structural Characterization, and Properties of {[Cu(bpp)2(H2O)2](tp)·7H2O} and {[Cu(bpp)2(H2O)](ip)·7H2O} Complexes. New Examples of the Organic Anionic Template Effect on Induced Assembly of Water Clusters (bpp = 1,3-Bis(4-pyridyl)propane, tp = Terephthalate, ip = Isophthalate)†
Authors of publication	Luo, Geng-Geng; Xiong, Hong-Bo; Dai, Jing-Cao
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	2
Pages of publication	507
a	12.824 ± 0.003 Å
b	16.867 ± 0.003 Å
c	17.66 ± 0.004 Å
α	90°
β	94.5 ± 0.03°
γ	90°
Cell volume	3808.1 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0442
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
179533 (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 4/50/02.	4500254.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500254.cif
34423	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500254, 4500255 via cif-deposit CGI script.	4500254.cif