Crystallography Open Database

Information card for entry 4329345

Preview

Coordinates	4329345.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20.25 N6 O6.125 Zn
Calculated formula	C20 H16 N6 O6.125 Zn
Title of publication	Solid-State Syntheses of Coordination Polymers by Thermal Conversion of Molecular Building Blocks and Polymeric Precursors
Authors of publication	Daniel Lässig; Jörg Lincke; Renata Gerhardt; Harald Krautscheid
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6180 - 6189
a	14.5956 ± 0.0016 Å
b	14.5956 ± 0.0016 Å
c	12.8842 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2744.7 ± 0.5 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 2 K
Number of distinct elements	5
Space group number	104
Hermann-Mauguin space group symbol	P 4 n c
Hall space group symbol	P 4 -2n
Residual factor for all reflections	0.0782
Residual factor for significantly intense reflections	0.0541
Weighted residual factors for significantly intense reflections	0.1426
Weighted residual factors for all reflections included in the refinement	0.1582
Goodness-of-fit parameter for all reflections included in the refinement	0.901
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
179396 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/93.	4329345.cif
78394	2013-04-02	cif/ Adding structures of 4329345 via cif-deposit CGI script.	4329345.cif