Crystallography Open Database

Information card for entry 7208112

7208111 << 7208112 >> 7208113

Preview

Coordinates	7208112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H24 N2 O15 Zn
Calculated formula	C22 H24 N2 O15 Zn
Title of publication	Novel complexes constructed by flexible 1,2,3,4,5,6- cyclohexanehexacarboxylate and transition metal ions ‒ From 0D mononuclear to 3D porous coordination polymers
Authors of publication	Xing, Feifei; Bai, Yueling; He, Xiang; Jia, Juan; Zhou, Dong; Shao, Min; Zhu, Shourong
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	13
Pages of publication	4312
a	10.2897 ± 0.0017 Å
b	11.3848 ± 0.0019 Å
c	20.042 ± 0.003 Å
α	90°
β	90.712 ± 0.002°
γ	90°
Cell volume	2347.7 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0578
Residual factor for significantly intense reflections	0.0387
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0949
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
180412 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/81.	7208112.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208112.cif
62793	2012-07-09	cif/ Adding structures of 7208108, 7208109, 7208110, 7208111, 7208112, 7208113, 7208114, 7208115, 7208116 via cif-deposit CGI script.	7208112.cif