Crystallography Open Database

Information card for entry 7006455

Preview

Coordinates	7006455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H84 O13 P6 Se12 Zn4
Calculated formula	C36 O13 P6 Se12 Zn4
Title of publication	Coordination chemistry of Group 12 metals with phosphorodiselenoates: syntheses, structures and VT 31P NMR study of monomer-dimer exchange equilibrium.
Authors of publication	Liu, C. W.; Lobana, Tarlok S.; Santra, Bidyut K.; Hung, Chiu-Mine; Liu, Hong-Yuan; Liaw, Ben-Jie; Wang, Ju-Chun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	4
Pages of publication	560 - 570
a	22.72 ± 0.0003 Å
b	22.72 ± 0.0003 Å
c	11.9987 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	5363.9 ± 0.2 Å³
Cell temperature	566 ± 2 K
Ambient diffraction temperature	566 ± 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	0.0918
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1276
Weighted residual factors for all reflections included in the refinement	0.1333
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
179768 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/64.	7006455.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006455.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006455.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006455.cif