Crystallography Open Database

Information card for entry 4332673

Preview

Coordinates	4332673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H54 N6 O23 P2 S2 Zn53
Calculated formula	C42 H32 N6 O23 P2 S2 Zn3
Title of publication	Three Novel Zinc(II) Sulfonate−Phosphonates with Tetranuclear or Hexanuclear Cluster Units
Authors of publication	Du, Zi-Yi; Xu, Hai-Bing; Mao, Jiang-Gao
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	16
Pages of publication	6424 - 6430
a	13.5396 ± 0.0001 Å
b	30.438 ± 0.0005 Å
c	15.7217 ± 0.0003 Å
α	90°
β	110.535 ± 0.001°
γ	90°
Cell volume	6067.5 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0636
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1638
Weighted residual factors for all reflections included in the refinement	0.1689
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179429 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/26.	4332673.cif
98470	2014-01-30	cif/ Adding structures of 4332673 via cif-deposit CGI script.	4332673.cif