Crystallography Open Database

Information card for entry 4508637

Preview

Coordinates	4508637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H52 N8 O18 P4 Zn
Calculated formula	C10 H52 N8 O18 P4 Zn
SMILES	C12(C)P(=O)(O[Zn]34([NH2]C(C)(P(=O)(O3)[O-])P(=O)(O4)[O-])([NH2]2)OP1(=O)[O-])[O-].C(C[NH3+])[NH3+].C([NH3+])C[NH3+].O.O.O.C(C[NH3+])[NH3+].O.O.O
Title of publication	Synthesis, Characterization, and Thermal Study of a T4(2)6(2) Water Tape in a Proton-Transfer Salt Host
Authors of publication	Li, Ming; Chen, Shuoping; Xiang, Jiangfeng; He, Hanjiang; Yuan, Liangjie; Sun, Jutang
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	6
Pages of publication	1250
a	6.4283 ± 0.0005 Å
b	9.0194 ± 0.0007 Å
c	13.3567 ± 0.001 Å
α	98.279 ± 0.001°
β	96.861 ± 0.001°
γ	91.559 ± 0.001°
Cell volume	760.08 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0277
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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
179622 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/86.	4508637.cif
96817	2014-01-29	cif/ Adding structures of 4508637 via cif-deposit CGI script.	4508637.cif