Crystallography Open Database

Information card for entry 4507073

Preview

Coordinates	4507073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H94 N8 O38 Si2 Zn5
Calculated formula	C82 H90 N8 O38 Si2 Zn5
Title of publication	Structural Diversity and Properties of Coordination Polymers Built from a Rigid Octadentenate Carboxylic Acid
Authors of publication	Xue, Yun-Shan; Jin, Feng-Yan; Zhou, Lian; Liu, Mei-Pin; Xu, Yan; Du, Hong-Bin; Fang, Min; You, Xiao-Zeng
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	12
Pages of publication	6158
a	23.168 ± 0.008 Å
b	18.615 ± 0.006 Å
c	25.483 ± 0.008 Å
α	90°
β	101.768 ± 0.004°
γ	90°
Cell volume	10759 ± 6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1024
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1655
Weighted residual factors for all reflections included in the refinement	0.1761
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
179606 (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 4/50/70.	4507073.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4507073.cif
71951	2013-01-21	cif/ Adding structures of 4507072, 4507073, 4507074 via cif-deposit CGI script.	4507073.cif