Crystallography Open Database

Information card for entry 7217241

Preview

Coordinates	7217241.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	{[Zn2(bpta)2(adc)2].2H2O}n
Formula	C40 H46 N6 O10 Zn2
Calculated formula	C40 H46 N6 O10 Zn2
Title of publication	Non-hydrothermal synthesis, structural characterization and thermochemistry of water soluble and neutral coordination polymers of Zn(II) and Cd(II): precursors for the submicron-sized crystalline ZnO/CdO
Authors of publication	Khullar, Sadhika; Mandal, Sanjay
Journal of publication	RSC Advances
Year of publication	2014
a	13.33 ± 0.002 Å
b	13.669 ± 0.003 Å
c	22.655 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4127.9 ± 1.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0952
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0971
Weighted residual factors for all reflections included in the refinement	0.1205
Goodness-of-fit parameter for all reflections included in the refinement	0.949
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
180503 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/72.	7217241.cif
120938	2014-07-30	cif/ Adding structures of 7217239, 7217240, 7217241, 7217242, 7217243, 7217244 via cif-deposit CGI script.	7217241.cif