Crystallography Open Database

Information card for entry 7214991

Preview

Coordinates	7214991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H16 Ba N2 O16 Zn2
Calculated formula	C30 H16 Ba N2 O16 Zn2
Title of publication	Alkaline earth metal ion doped Zn(ii)-terephthalates
Authors of publication	Zhang, Xin; Huang, Yuan-Yuan; Cheng, Jian-Kai; Yao, Yuan-Gen; Zhang, Jian; Wang, Fei
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	14
Pages of publication	4843
a	15.1637 ± 0.0006 Å
b	19.0644 ± 0.0006 Å
c	12.6634 ± 0.0005 Å
α	90°
β	112.767 ± 0.005°
γ	90°
Cell volume	3375.6 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0633
Weighted residual factors for all reflections included in the refinement	0.067
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
180480 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/49.	7214991.cif
111007	2014-04-20	cif/ Adding structures of 7214988, 7214989, 7214990, 7214991 via cif-deposit CGI script.	7214991.cif