Crystallography Open Database

Information card for entry 4332823

Preview

Coordinates	4332823.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	none
Formula	C180 H112 N0 O28 Zn8
Calculated formula	C180 H108 O28 Zn8
Title of publication	Stability and Porosity Enhancement through Concurrent Ligand Extension and Secondary Building Unit Stabilization
Authors of publication	Sun, Daofeng; Ke, Yanxiong; Mattox, Tracy M.; Parkin, Sean; Zhou, Hong-Cai
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	19
Pages of publication	7566 - 7568
a	34.6215 ± 0.0009 Å
b	15.0763 ± 0.0003 Å
c	42.9953 ± 0.0009 Å
α	90°
β	108.373 ± 0.002°
γ	90°
Cell volume	21298 ± 0.9 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1465
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179431 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/28.	4332823.cif
98575	2014-01-30	cif/ Adding structures of 4332823 via cif-deposit CGI script.	4332823.cif