Crystallography Open Database

Information card for entry 7028406

Preview

Coordinates	7028406.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C216 H460 Cl8 Mo4 N12 O56 P16
Calculated formula	C216 H460 Cl8 Mo4 N12 O56 P16
Title of publication	Facile synthesis of mononuclear early transition-metal complexes of κ3cyclo-tetrametaphosphate ([P4O12]4-) and cyclo-trimetaphosphate ([P3O9]3-.
Authors of publication	Manna, Cesar M.; Nassar, Mostafa Y.; Tofan, Daniel; Chakarawet, Khetpakorn; Cummins, Christopher C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	4
Pages of publication	1509 - 1518
a	12.1845 ± 0.0016 Å
b	23.687 ± 0.003 Å
c	23.769 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6860.1 ± 1.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0726
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1425
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179990 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/84.	7028406.cif
105307	2014-03-12	cif/ Adding structures of 7028404, 7028405, 7028406, 7028407, 7028408, 7028409, 7028410 via cif-deposit CGI script.	7028406.cif