Crystallography Open Database

Information card for entry 4305318

Preview

Coordinates	4305318.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H88 N8 O70 S6 Zr6
Calculated formula	C16 N8 O70.02 S6 Zr6
Title of publication	Synthesis and Structural Determination of a Hexanuclear Zirconium Glycine Compound Formed in Aqueous Solution
Authors of publication	Long Pan; Ryan Heddy; Jing Li; Chong Zheng; Xiao-Ying Huang; Xiaozhong Tang; Latonya Kilpatrick
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5537 - 5539
a	24.979 ± 0.004 Å
b	11.4356 ± 0.0017 Å
c	13.725 ± 0.002 Å
α	90°
β	115.902 ± 0.002°
γ	90°
Cell volume	3526.7 ± 0.9 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.1706
Weighted residual factors for all reflections included in the refinement	0.1778
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179091 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/53.	4305318.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305318.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305318.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305318.cif