Crystallography Open Database

Information card for entry 2238744

Preview

Coordinates	2238744.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[μ-chlorido-μ-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol-κ^2^<i>N</i>^4^:<i>N</i>^4'^]-zinc] chloride dihydrate]
Formula	C26 H28 Cl2 F4 N12 O4 Zn
Calculated formula	C26 H28 Cl2 F4 N12 O4 Zn
Title of publication	Poly[[μ-chlorido-μ-[2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol-κ^2^<i>N</i>^4^:<i>N</i>^4'^]-zinc] chloride dihydrate]
Authors of publication	Pan, Gang-Hong; Tang, Jin-Niu; Xu, Shi-Hua; Huang, Zhong-Jing; Mo, Bo-Fa
Journal of publication	Acta Crystallographica Section E
Year of publication	2013
Journal volume	69
Journal issue	11
Pages of publication	m573
a	10.231 ± 0.0006 Å
b	11.8118 ± 0.0006 Å
c	14.3588 ± 0.0009 Å
α	91.191 ± 0.007°
β	107.481 ± 0.005°
γ	106.074 ± 0.006°
Cell volume	1580.1 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1498
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.2282
Weighted residual factors for all reflections included in the refinement	0.3064
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
176798 (current)	2016-02-21	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23.	2238744.cif
91152	2013-12-09	cif/ Adding structures of 2238744 via cif-deposit CGI script.	2238744.cif