Crystallography Open Database

Information card for entry 4116532

Preview

Coordinates	4116532.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	ZnDachPO
Chemical name	zinc(1,2-diaminocyclohexane)phosphate
Formula	C6 H21 N2 O14 P3 Zn3
Calculated formula	C6 H21 N2 O14 P3 Zn3
Title of publication	Zinc Phosphate with Gigantic Pores of 24 Tetrahedra
Authors of publication	Guo-Yu Yang; Slavi C. Sevov
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	8389 - 8390
a	33.401 ± 0.007 Å
b	33.401 ± 0.007 Å
c	9.241 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	8928 ± 5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1471
Weighted residual factors for all reflections included in the refinement	0.1592
Goodness-of-fit parameter for all reflections included in the refinement	1.101
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
178936 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/65.	4116532.cif
72651	2013-01-23	cif/ Adding structures of 4116532 via cif-deposit CGI script.	4116532.cif