Crystallography Open Database

Information card for entry 1520763

1520762 << 1520763 >> 1520764

Preview

Coordinates	1520763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 Mo6 N4 Na4 O48 P4
Calculated formula	C20 H30 Mo6 N4 Na2.5 O48 P4
SMILES	C12(CCC[NH2+]Cc3cc[nH+]cc3)O[Mo]34(=O)(=O)O[Mo]56([O]3P2(=O)O[Mo](OP1(=O)[O]45)(O[Mo]12(OP3(=O)[O]4[Mo]57(OC3(P(=O)([O]5[Mo]4(O7)(=O)(=O)O1)O2)CCC[NH2+]Cc1cc[nH+]cc1)(=O)=O)(=O)=O)(=O)(=O)O6)(=O)=O.[Na+].O.O.O.O.[Na+].O.O.[Na+].O.O.O.O.O.O.O.O.O.O.O
Title of publication	Fully Oxidized and Mixed-Valent Polyoxomolybdates Structured by Bisphosphonates with Pendant Pyridine Groups: Synthesis, Structure and Photochromic Properties
Authors of publication	Oms, Olivier; Benali, Tarik; Marrot, Jérome; Mialane, Pierre; Puget, Marin; Serier-Brault, Hélène; Deniard, Philippe; Dessapt, Rémi; Dolbecq, Anne
Journal of publication	Inorganics
Year of publication	2015
Journal volume	3
Journal issue	2
Pages of publication	279
a	9.024 ± 0.0003 Å
b	19.4282 ± 0.0006 Å
c	21.1568 ± 0.0007 Å
α	103.992 ± 0.002°
β	95.5616 ± 0.0016°
γ	103.407 ± 0.0014°
Cell volume	3454.8 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0809
Residual factor for significantly intense reflections	0.071
Weighted residual factors for significantly intense reflections	0.196
Weighted residual factors for all reflections included in the refinement	0.2096
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
140297 (current)	2015-07-05	cif/ Adding structures of 1520763, 1520764, 1520765 via cif-deposit CGI script.	1520763.cif