Crystallography Open Database

Information card for entry 7028404

Preview

Coordinates	7028404.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H60 Cl Mo N2 O11 P7
Calculated formula	C72 H60 Cl Mo N2 O11 P7
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	23.79 ± 0.003 Å
b	13.7091 ± 0.0015 Å
c	22.003 ± 0.002 Å
α	90°
β	112.902 ± 0.002°
γ	90°
Cell volume	6610.4 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0534
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0738
Weighted residual factors for all reflections included in the refinement	0.0831
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	7028404.cif
105307	2014-03-12	cif/ Adding structures of 7028404, 7028405, 7028406, 7028407, 7028408, 7028409, 7028410 via cif-deposit CGI script.	7028404.cif