Crystallography Open Database

Information card for entry 7053002

Preview

Coordinates	7053002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H36 Ba O14 Zn2
Calculated formula	C30 H34 Ba O13 Zn2
Title of publication	Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands
Authors of publication	Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	2
Pages of publication	380
a	18.14 ± 0.001 Å
b	31.2496 ± 0.0019 Å
c	6.8627 ± 0.0004 Å
α	90°
β	106.35 ± 0.006°
γ	90°
Cell volume	3732.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180084 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/30.	7053002.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7053002.cif
73752	2013-02-21	cif/ Adding structures of 7052999, 7053000, 7053001, 7053002 via cif-deposit CGI script.	7053002.cif