Crystallography Open Database

Information card for entry 7220323

7220322 << 7220323 >> 7220324

Preview

Coordinates	7220323.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Zn(Im)(HIm)2(OAc)
Formula	C11 H14 N6 O2 Zn
Calculated formula	C11 H14 N6 O2 Zn
Title of publication	A single precursor approach for ZIF synthesis: transformation of a new 1D [Zn(Im)(HIm)2(OAc)] structure to 3D Zn(Im)2frameworks
Authors of publication	Shi, Qi; Wang, Fei; Kang, Xiaozhen; Xu, Jun; Huang, Yining; Li, Jinping; Dong, Jinxiang
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	21
Pages of publication	3998
a	10.9252 ± 0.0009 Å
b	9.3337 ± 0.0006 Å
c	14.2595 ± 0.0003 Å
α	90°
β	98.0093 ± 0.001°
γ	90°
Cell volume	1439.89 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1112
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1627
Weighted residual factors for all reflections included in the refinement	0.1726
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7220323.cif
138543	2015-06-07	cif/ Updating files of 7220323 Original log message: Adding full bibliography for 7220323.cif.	7220323.cif
135830	2015-05-09	cif/ Adding structures of 7220323 via cif-deposit CGI script.	7220323.cif