Crystallography Open Database

Information card for entry 7202854

7202853 << 7202854 >> 7202855

Preview

Coordinates	7202854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H42 Cl2 N7 O16 Zn
Calculated formula	C35 H42 Cl2 N7 O16 Zn
Title of publication	A well-resolved discrete dodecameric water cluster in a metal‒organic complex
Authors of publication	Song, Hui-Hua; Ma, Bao-Qing
Journal of publication	CrystEngComm
Year of publication	2007
Journal volume	9
Journal issue	8
Pages of publication	625
a	11.508 ± 0.0014 Å
b	19.262 ± 0.002 Å
c	20.466 ± 0.002 Å
α	108.102 ± 0.002°
β	104.842 ± 0.002°
γ	91.297 ± 0.002°
Cell volume	4142.3 ± 0.8 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1147
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1405
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
180359 (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 7/20/28.	7202854.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202854.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202854.cif
1188	2010-06-06	cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories.	7202854.cif