Crystallography Open Database

Information card for entry 7029494

Preview

Coordinates	7029494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H18 N6 O8 Zn
Calculated formula	C29 H18 N6 O8 Zn
Title of publication	Structural variation in Zn(ii) coordination polymers built with a semi-rigid tetracarboxylate and different pyridine linkers: synthesis and selective CO2 adsorption studies.
Authors of publication	Sen, Susan; Neogi, Subhadip; Aijaz, Arshad; Xu, Qiang; Bharadwaj, Parimal K.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	16
Pages of publication	6100 - 6107
a	10.3954 ± 0.0006 Å
b	12.7503 ± 0.0007 Å
c	14.0871 ± 0.0009 Å
α	63.338 ± 0.001°
β	89.978 ± 0.001°
γ	86.005 ± 0.001°
Cell volume	1663.58 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0696
Residual factor for significantly intense reflections	0.0469
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1216
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
180000 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/94.	7029494.cif
108325	2014-03-30	cif/ Adding structures of 7029494, 7029495 via cif-deposit CGI script.	7029494.cif