Crystallography Open Database

Information card for entry 4500154

Preview

Coordinates	4500154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 Br2 N2 O9 Zn2
Calculated formula	C26 H16 Br2 N2 O9 Zn2
Title of publication	Significant Positional Isomeric Effect on Structural Assemblies of Zn(II) and Cd(II) Coordination Polymers Based on Bromoisophthalic Acids and Various Dipyridyl-Type Coligands
Authors of publication	Ma, Lu-Fang; Li, Xiu-Qin; Meng, Qing-Lei; Wang, Li-Ya; Du, Miao; Hou, Hong-Wei
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	1
Pages of publication	175
a	10.0154 ± 0.0016 Å
b	14.546 ± 0.002 Å
c	9.2314 ± 0.0015 Å
α	90°
β	97.496 ± 0.002°
γ	90°
Cell volume	1333.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.05
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
179532 (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 4/50/01.	4500154.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500154.cif
34398	2012-02-25	cif/4/50/ Moving all 45001??.cif files to subdirectory 01/ where they belong.	4500154.cif
34371	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500154 via cif-deposit CGI script.	4500154.cif