Crystallography Open Database

Information card for entry 4512566

Preview

Coordinates	4512566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H45.2 N2 O21.6 Zn5
Calculated formula	C36 H45.2 N2 O21.6 Zn5
Title of publication	New Zn(II) Coordination Polymers Constructed from Amino-Alcohols and Aromatic Dicarboxylic Acids: Synthesis, Structure, Photocatalytic Properties, and Solid-State Conversion to ZnO
Authors of publication	Paraschiv, Carmen; Cucos, Andrei; Shova, Sergiu; Madalan, Augustin M.; Maxim, Catalin; Visinescu, Diana; Cojocaru, Bogdan; Parvulescu, Vasile I.; Andruh, Marius
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	2
Pages of publication	799
a	13.6546 ± 0.0018 Å
b	14.2126 ± 0.0018 Å
c	14.6377 ± 0.0019 Å
α	76.057 ± 0.011°
β	86.39 ± 0.011°
γ	67.91 ± 0.012°
Cell volume	2553.4 ± 0.6 Å³
Cell temperature	173.05 ± 0.1 K
Ambient diffraction temperature	173.05 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1083
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1299
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	0.937
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4512566.cif
132756	2015-03-04	cif/ Updating files of 4512564, 4512565, 4512566 Original log message: Adding full bibliography for 4512564--4512566.cif.	4512566.cif
129746	2015-01-17	cif/ Adding structures of 4512566 via cif-deposit CGI script.	4512566.cif