Crystallography Open Database

Information card for entry 8000114

Preview

Coordinates	8000114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H9 Br N O5 Zn
Calculated formula	C8 H9 Br N O5 Zn
Title of publication	Two New Coordination Polymers Based on Hexanuclear Metal Cluster Cores
Authors of publication	Chen, Jinxi; Ohba, Masaaki; Kitagawa, Susumu
Journal of publication	Chemistry Letters
Year of publication	2006
Journal volume	35
Journal issue	5
Pages of publication	526
a	16.0568 ± 0.0011 Å
b	16.0568 ± 0.0011 Å
c	7.6324 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	1704.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1114
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.159
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8000114.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8000114.cif
94264	2014-01-22	cif/ Adding structures of 8000114 via cif-deposit CGI script.	8000114.cif