Crystallography Open Database

Information card for entry 7214989

Preview

Coordinates	7214989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H26 Ca N2 O10 Zn
Calculated formula	C24 H26 Ca N2 O10 Zn
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	10.311 ± 0.0004 Å
b	18.4014 ± 0.0013 Å
c	14.3666 ± 0.0009 Å
α	90°
β	99.825 ± 0.005°
γ	90°
Cell volume	2685.9 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1233
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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.	7214989.cif
111007	2014-04-20	cif/ Adding structures of 7214988, 7214989, 7214990, 7214991 via cif-deposit CGI script.	7214989.cif